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Asynchronous propagation of atomic force and excited electronic charge in GaAs under proton irradiation J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-28 Wen-Hao Shi, Zun-Yi Deng, Hong-Jian Feng
The studies for the interaction of energetic particles with matter have greatly contributed to the exploration of material properties under irradiation conditions, such as nuclear safety, medical physics and aerospace applications. In this work, we theoretically simulate the non-adiabatic process for GaAs upon proton irradiation using time-dependent density functional theory, and find that the radial
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Emergence of the isotropic Kitaev honeycomb lattice α− RuCl3 and its magnetic properties J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 Sang-Youn Park, Seung-Hwan Do, Kwang-Yong Choi, D Jang, Tae-Hwan Jang, J Scheffer, Chun-Ming Wu, J S Gardner, J M S Park, Jae-Hoon Park, Sungdae Ji
We present a comprehensive investigation of the crystal and magnetic structures of the van der Waals antiferromagnet α− RuCl3 using single crystal x-ray and neutron diffraction. The crystal structure at room temperature is a monoclinic ( C2/m ). However, with decreasing temperature, a remarkable first-order structural phase transition is observed, leading to the emergence of a rhombohedral ( R3ˉ )
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Visible proton Bragg curve imaging by colour centre photoluminescence in radiation detectors based on lithium fluoride films on silica J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 R M Montereali, V Nigro, M Piccinini, M A Vincenti, P Nenzi, C Ronsivalle, E Nichelatti
Passive solid-state radiation detectors, based on the visible photoluminescence (PL) of radiation-induced colour centres in optically transparent lithium fluoride (LiF), polycrystalline thin films are under investigation for proton beam advanced diagnostics. After proton exposure, the latent images stored in LiF as local formations of stable F2 and F3 + aggregate defects, are directly read with a fluorescence
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Ultra-thin double-layered hexagonal CuI: strain tunable properties and robust semiconducting behavior J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 A C Demirok, H Sahin, M Yagmurcukardes
In this study, the freestanding form of ultra-thin CuI crystals, which have recently been synthesized experimentally, and their strain-dependent properties are investigated by means of density functional theory calculations. Structural optimizations show that CuI crystallizes in a double-layered hexagonal crystal (DLHC) structure. While phonon calculations predict that DLHC CuI crystals are dynamically
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Unusual multiple magnetic transitions and anomalous Hall effect observed in antiferromagnetic Weyl semimetal, Mn2.94Ge (Ge-rich) J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 Susanta Ghosh, Achintya Low, Susmita Changdar, Shubham Purwar, Setti Thirupathaiah
We report on the magnetic and Hall effect measurements of the magnetic Weyl semimetal, Mn2.94Ge (Ge-rich) single crystal. From the magnetic properties study, we identify unusual multiple magnetic transitions below the N eˊ el temperature of 353 K, such as the spin-reorientation (T SR) and ferromagnetic-like transitions. Consistent with the magnetic properties, the Hall effect study shows unusual behavior
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Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 L Giacomazzi, L Martin-Samos, N Richard, D Ceresoli, A Alessi
We present a first-principles investigation of Sn paramagnetic centers in Sn-doped vitreous silica based on calculations of the electron paramagnetic resonance (EPR) parameters. The present investigation provides evidence of an extended analogy between the family of Ge paramagnetic centers in Ge-doped silica and the family of Sn paramagnetic centers in Sn-doped silica for SnO2 concentrations below
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Giant magnetoresistance resulting from superzone gap in spin-frustrated rare-earth-based aluminide: DyFe2Al10 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 Koustav Pal, Suman Dey, I Das
The magnetic properties of orthorhombic aluminides have recently been the subject of investigation, revealing several intriguing phenomena within this class of materials. However, the exploration of their magnetic and electrical transport phenomena has remained somewhat limited. In this study, we delve into the magnetic and electrical transport characteristics of one such material from that group which
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How to produce spin-splitting in antiferromagnetic materials J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 San-Dong Guo, Yu-Ling Tao, Guangzhao Wang, Yee Sin Ang
Antiferromagnetic (AFM) materials have potential advantages for spintronics due to their robustness, ultrafast dynamics, and magnetotransport effects. However, the missing spontaneous polarization and magnetization hinders the efficient utilization of electronic spin in these AFM materials. Here, we propose a simple way to produce spin-splitting in AFM materials by making the magnetic atoms with opposite
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Low temperature Raman spectroscopic study of anharmonic and spin-phonon coupled quasi-two dimensional rare earth based francisites J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-27 P Manna, S Kanthal, A Das, A Banerjee, S Bandyopadhyay
Mineral francisites Cu3Bi(SeO3)2O2Cl are unique compounds with interesting quasi two-dimensional structure along with fascinating magnetic properties. The magnetic properties can be fine-tuned when non-magnetic Bi is replaced by a suitable rare earth (RE) metal. It is because of the inclusion of additional magnetic sub-centre RE apart from Cu. Temperature dependent Raman spectroscopy measurements in
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The fluctuated structural/electronic properties of SrTiO3 two-dimensional materials caused by surface effects J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Tingkai Yang, Chao Yang
Perovskite oxide thin films have many astonishing properties, such as multiferroicity, superconductivity, strong correlation, etc, and are closely related to orientations with different symmetry and structural characteristics. Recently, perovskite oxide films with only one unit cell thickness have been synthesized successfully (Ji et al 2019 Nature 570 87–90). Here we investigated the structure and
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Electrical properties of strained off-stoichiometric Cu–Cr–O delafossite thin films J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Marco Moreira, Jonathan Crêpellière, Jérôme Polesel-Maris, Renaud Leturcq, Jérôme Guillot, Yves Fleming, Petru Lunca-Popa
Off-stoichiometric Cu–Cr–O delafossite thin films with different thicknesses were grown by metal organic chemical vapor deposition on substrates with different coefficients of thermal expansion. Seebeck thermoelectric coefficient and resistivity measurements were performed on the range of 300–850 K. A qualitative change in the temperature-dependence of the resistivity is observed at the temperature
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Crucial role of interfacial interaction in 2D polar SiGe/GeC heterostructures J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Safia Abdullah R Alharbi, Ming Yu
The planar charge transfer is a distinctive characteristic of the two-dimensional (2D) polar materials. When such 2D polar materials are involved in vertical heterostructures (VHs), in addition to the van der Waals (vdW) interlayer interaction, the interfacial interaction triggered by the in-plane charge transfer will play a crucial role. To deeply understand such mechanism, we conducted a comprehensive
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Quantum oscillations evidence for topological bands in kagome metal ScV6Sn6 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Guoxin Zheng, Yuan Zhu, Shirin Mozaffari, Ning Mao, Kuan-Wen Chen, Kaila Jenkins, Dechen Zhang, Aaron Chan, Hasitha W Suriya Arachchige, Richa P Madhogaria, Matthew Cothrine, William R Meier, Yang Zhang, David Mandrus, Lu Li
Metals with kagome lattice provide bulk materials to host both the flat-band and Dirac electronic dispersions. A new family of kagome metals is recently discovered in AV6Sn6. The Dirac electronic structures of this material needs more experimental evidence to confirm. In the manuscript, we investigate this problem by resolving the quantum oscillations in both electrical transport and magnetization
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The influence of phosphate glass structure on results of thermal poling J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Aleksandr V Shavlovich, Ilya V Reshetov, Dmitry K Tagantsev, Andrey A Lipovskii, Valentina V Zhurikhina
Two sodium phosphate glasses with different structure (meta- and orthophosphate ones) were thermally poled well below the glass transition temperatures. Glass with an orthophosphate structure (glass LA30) demonstrated a typical behavior of polarization current, that is, monotonic current decrease; however, in glass with a metaphosphate structure (glass LA10) the current first increased for 15–20 min
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Theory for magnetic impurity modes in two-dimensional van der Waals ferromagnetic films J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Peter G Komorowski, Michael G Cottam
A spin-wave analysis is developed to calculate the energies of the localized excitations occurring in two-dimensional ferromagnetic van der Waals monolayers when a substitutional magnetic impurity is introduced. The magnetic ions lie on a bipartite honeycomb lattice (similar to that for graphene) and the theory includes the effects of both Ising anisotropy and single-ion anisotropy to stabilize the
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High harmonic generation in graphene quantum dots J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Ahmal Jawad Zafar, Aranyo Mitra, Vadym Apalkov
We study theoretically the generation of high harmonics in disk graphene quantum dots placed in linearly polarized short pulse. The quantum dots (QD) are described within an effective model of the Dirac type and the length gauge was used to describe the interaction of quantum dots with an optical pulse. The generated radiation spectra of graphene quantum dots can be controlled by varying the quantum
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Engineering piezoelectricity at vdW interfaces of quasi-1D chains in 2D Tellurene J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-26 Parrydeep Kaur Sachdeva, Shuchi Gupta, Chandan Bera
Low-dimensional piezoelectrics have drawn attention to the realization in nano-scale devices with high integration density. A unique branch of 2D Tellurene bilayers formed of weakly interacting quasi-1D chains via van der Waals forces is found to exhibit piezoelectricity due to the semiconducting band gap and spatial inversion asymmetry. Various bilayer stackings are systematically examined using density
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Hydrogenation driven ultra-low lattice thermal conductivity in β 12 borophene J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-23 Ashish Sharma, Vir Singh Rangra
Borophene gathered large interest owing to its polymorphism and intriguing properties such as Dirac point, inherent metallicity, etc but oxidation limits its capabilities. Hydrogenated borophene was recently synthesised experimentally to harness its applications. Motivated by experimental work, in this paper, using first-principles calculations and Boltzmann transport theory, we study the freestanding
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Graph attention neural networks for mapping materials and molecules beyond short-range interatomic correlations J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-23 Yuanbin Liu, Xin Liu, Bingyang Cao
Bringing advances in machine learning to chemical science is leading to a revolutionary change in the way of accelerating materials discovery and atomic-scale simulations. Currently, most successful machine learning schemes can be largely traced to the use of localized atomic environments in the structural representation of materials and molecules. However, this may undermine the reliability of machine
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Structure and stability of La- and hole-doped hafnia with/without epitaxial strain J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-23 Hao Cheng, Hao Tian, Jun-Ming Liu, Yurong Yang
The significance of hafnia in the semiconductor industry has been amplified following the unearthing of its ferroelectric properties. We investigated the structure and electrical properties of La- and hole-doped HfO2 with/without epitaxial strain by first-principles calculations. It is found that the charge compensated defect with oxygen vacancy ( LaHfVO ) and uncompensated defect ( LaHf ), compared
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Resonance Raman spectroscopy of twisted interfaces in turbostratic multilayer graphene J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-23 A Mohapatra, S Poudyal, M S Ramachandra Rao, Manu Jaiswal
Turbostratic multilayer graphene presents a unique system with a large number of twisted interfaces with variable twist angles. In this work, we have systematically studied the laser excitation energy dependence of the Raman modes of turbostratic graphene. The combination of 4 different laser energies is shown to be important to reveal the twist angles ranging from 5∘ to 30∘ present at the same lateral
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Spin-flip excitation and negative energy dispersion in rotating Bose atoms J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-23 Moumita Indra, Sandip Mondal
We investigated the excitation spectra for the rotating Bose system in the fractional quantum Hall effect regime considering short-ranged P o¨ schl-Teller and long-ranged Coulomb type interaction. We found the anomalous negative dispersion in the excited spectra for Jain’s second and third series, whereas conventional spin-wave positive dispersion is observed in the case of Jain’s first series. The
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How to enhance the polarization intensity of two-dimensional sliding ferroelectricity for hexagonal boron- or nitrogen-based binary compounds? J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-21 Jinrong Xu, Ziyue Yang, Wenjing Liu, Li Wang, Ying Wang
In recent years, two-dimensional (2D) sliding ferroelectric (SFE) materials have received widespread attention due to their unique ferroelectric mechanism, which exists in van der Waals bilayer and multilayer systems. However, compared to traditional ferroelectric materials, their relatively weak polarization intensity and low energy barrier limit their practical applications. Here, using the first-principles
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Ultrafast field-driven valley polarization of transition metal dichalcogenide quantum dots J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-21 Aranyo Mitra, Ahmal Jawad Zafar, Vadym Apalkov
We study theoretically the electron dynamics of transition metal dichalcogenide (TMDC) quantum dots (QDs) in the field of an ultrashort and ultrafast circularly polarized optical pulse. The QDs have the shape of a disk and their electron systems are described within an effective model with infinite mass boundary conditions. Similar to TMDC monolayers, a circularly polarized pulse generates ultrafast
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An ideal candidate for observing anomalous Hall effect induced by the in-plane magnetic field J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-21 W R Li, C M Wang
The anomalous Hall effect induced by the in-plane magnetic field (anomalous planar Hall effect) has recently attracted a lot of interests due to its numerous advantages. Although several schemes have been put forward in theory, experimental observations in many materials so far are often accompanied by planar Hall effects due to other mechanisms, rather than the pure anomalous planar Hall effect (APHE)
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Re-emerging magnetic order in correlated van der Waals antiferromagnet NiPS3 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-21 Xueli Zhou, Haihong Xu, Jiang Zhang, Lingyun Tang, Xi Chen, Zhongquan Mao
Van der Waals (vdW) gap is a significant feature that distinguishes vdW magnets from traditional magnets. Manipulating the magnetic properties by changing the vdW gap has been hot topic in condensed matter research. Here we report a re-emerging magnetic order induced by pressure in a correlated vdW antiferromagnetic insulator NiPS3. It is found that the interlayer magnetoresistance (MR) nearly vanishes
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Bi-based bracelet-like monolayer with negative in-plane Poisson’s ratio and enhanced photocatalytic performance: a first-principles study J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-20 N Kedidi, T Ayadi, M Debbichi
Auxetic materials are in high demand for advanced applications due to their relatively rare negative Poisson’s ratio in two-dimensional materials. This study investigates the structural, mechanical, electronic, optical and photocatalytic properties of the AsBiTe3 monolayer(ML) using first-principles calculations. Through analysis of phonon dispersion curves, ab-initio molecular dynamics simulations
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Metal-bonded perovskite lead hydride with phonon-mediated superconductivity exceeding 46 K under ambient pressure J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-20 Yong He, Juan Du, Shi-ming Liu, Chong Tian, Min Zhang, Yao-hui Zhu, Hong-xia Zhong, Xinqiang Wang, Jun-jie Shi
In the search for high-temperature superconductivity in hydrides, a plethora of multi-hydrogen superconductors have been theoretically predicted, and some have been synthesized experimentally under ultrahigh pressures of several hundred GPa. However, the impracticality of these high-pressure methods has been a persistent issue. In response, we propose a new approach to achieve high-temperature superconductivity
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Influence of temperature on bandgap shifts, optical properties and photovoltaic parameters of GaAs/AlAs and GaAs/AlSb p–n heterojunctions: insights from ab-initio DFT + NEGF studies J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-20 Ramesh Mamindla, Manish K Niranjan
The III–V group semiconductors are highly promising absorbers for heterojunctions based solar cell devices due to their high conversion efficiency. In this work, we explore the solar cell properties and the role of electron–phonon coupling (EPC) on the solar cell parameters of GaAs/AlSb and GaAs/AlAs p–n heterojunctions using non-equilibrium Green function method (NEGF) in combination of ab-initio
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Temperature-induced disruptive growth rate behavior due to streaming instability in semiconductor quantum plasma with nanoparticles J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-20 Krishna Sharma, Homnath Luitel, Rustam Ali, Utpal Deka
The nature of the growth rate due to streaming instability in a semiconductor quantum plasma implanted with nanoparticles has been analyzed using the quantum hydrodynamic model. In this study, the intriguing effect of temperature, beam electron speed, and electron-hole density on growth rate and frequency is investigated. The results show that the growth rate demonstrates a nonlinear behavior, strongly
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Revealing magnetic and physical properties of TbFe4.4Al7.6: experiment and theory J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-20 S Shanmukharao Samatham, Saurabh Singh, S Shravan Kumar Reddy, Santhosh Kumar A, Sankararao Yadam, P D Babu, Tsunehiro Takeuchi, K G Suresh
We report on the magnetic, electrical transport, caloric and electronic structure properties of TbFe4.4Al7.6 polycrystalline alloy using experiment and theory. The alloy crystallizes in tetragonal structure with I4/mmm space group with lattice parameters a = b = 8.7234(5) Å and c = 5.0387(6) Å. It is ferrimagnetic with a compensation temperature of Tcmp∼ 151 K, Curie–Weiss temperature θCW∼ 172.11 K
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Magnetic toroidicity J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-19 Xianghan Xu, Fei-Ting Huang, Sang-Wook Cheong
Directional non-reciprocity refers to the phenomenon where the motion in one direction differs from the motion in the opposite direction. This behavior is observed across various systems, such as one-way traffic and materials displaying electronic/optical directional dichroism, characterized by the symmetry of velocity vectors. Magnetic toroidal moments (MTMs), which typically arise from rotational
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Entropy driven incommensurate structures in the frustrated kagome staircase Co3V2O8 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-19 Joel S Helton, Nyrissa Rogado, Robert J Cava, Jeffrey W Lynn
Co3V2O8 features spin-3/2 moments arrayed on a kagome staircase lattice. A spin density wave with a continuously evolving propagation vector of k⃗=(0,δ,0) , showing both incommensurate states and multiple commensurate lock-ins, is observed at temperatures above the ferromagnetic ground state. Previous work has suggested that this changing propagation vector could be driven by changes in exchange interactions
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Self-consistent quantum-kinetic theory for interacting drifting electrons and force-driven phonons in a 1D system J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-19 Xuejun Lu, Danhong Huang
A self-consistent quantum-kinetic model is developed for studying strong-field nonlinear electron transport interacting with force-driven phonons within a nanowire system. For this model, phonons can be dragged into motion through strong electron–phonon scattering by fast-moving electrons along the opposite direction of the DC electric field. Meanwhile, the DC-field induced charge current of electrons
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Advanced spectroscopic investigation of colour centres in LiF crystals irradiated with monochromatic hard x-rays J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-16 M A Vincenti, R M Montereali, F Bonfigli, E Nichelatti, V Nigro, M Piccinini, M Koenig, P Mabey, G Rigon, H J Dabrowski, Y Benkadoum, P Mercere, P Da Silva, T Pikuz, N Ozaki, S Makarov, S Pikuz, B Albertazzi
Nominally-pure lithium fluoride (LiF) crystals were irradiated with monochromatic hard x-rays of energy 5, 7, 9 and 12 keV at the METROLOGIE beamline of the SOLEIL synchrotron facility, in order to understand the role of the selected x-ray energy on their visible photoluminescence (PL) response, which is used for high spatial resolution 2D x-ray imaging detectors characterized by a wide dynamic range
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Magnetic doping in transition metal dichalcogenides J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-16 Paula Mariel Coelho
Transition metal dichalcogenides (TMDCs) are materials with unique electronic properties due to their two-dimensional nature. Recently, there is a large and growing interest in synthesizing ferromagnetic TMDCs for applications in electronic devices and spintronics. Apart from intrinsically magnetic examples, modification via either intrinsic defects or external dopants may induce ferromagnetism in
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Towards the high-throughput prediction of finite-temperature properties using the quasi-harmonic approximation J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-16 Ioanna Pallikara, Jonathan M Skelton
Lattice dynamics calculations within the quasi-harmonic approximation (QHA) provide an infrastructure for modelling the finite-temperature properties of periodic solids at a modest computational cost. With the recent widespread interest in materials discovery by data mining, a database of computed finite-temperature properties would be highly desirable. In this work we provide a first step toward this
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The structural stability of Mn3Sn Heusler compound under high pressure J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-15 Junran Zhang, Yunhao Lu, Yanchun Li
Pressure engineering has attracted growing interest in the understanding of structural changes and structure-property relations of layered materials. In this study, we investigated the effect of pressure on the crystal structure of Mn3Sn. In-situ high-pressure x-ray diffraction experiments revealed that Mn3Sn maintained hexagonal lattice symmetry within the pressure range of ambient to 50.4 GPa. The
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Role of isotropic and anisotropic Dzyaloshinskii–Moriya interaction on skyrmions, merons and antiskyrmions in the C nv symmetric system J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-15 Sandip Bera
The lattice Hamiltonian with the presence of a chiral magnetic isotropic Dzyaloshinskii–Moriya interaction (DMI) in a square and hexagonal lattice is numerically solved to give the full phase diagram consisting of skyrmions and merons in different parameter planes. The phase diagram provides the actual regions of analytically unresolved asymmetric skyrmions and merons, and it is found that these regions
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Griffiths-like behavior and magnetocaloric properties of rare-earth silicide Tb2Co0.8Si3.2 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-15 Remya U D, Arun K, Swathi S, Athul S R, Andrea Dzubinska, Marian Reiffers, Nagalakshmi Ramamoorthi
Novel rare-earth silicide, Tb2Co0.8Si3.2 compound, crystallizes in Lu2CoGa3 structure, a distorted substitution variant of the AlB2 structure. The compound exhibits a complex magnetic state, with a ferromagnetic transition at 58 K, followed by successive antiferromagnetic transitions at 24 K and 8 K, respectively. Isothermal and magnetic hysteresis studies indicate the prominence of competing antiferro
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Artificial neural network for deciphering the structural transformation of condensed ZnO by extended x-ray absorption fine structure spectroscopy J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Jiangwen Liao, Jiajing Pei, Guikai Zhang, Pengfei An, Shengqi Chu, Yuanyuan Ji, Huan Huang, Jing Zhang, Juncai Dong
Pressure-induced structural phase transitions play a pivotal role in unlocking novel material functionalities and facilitating innovations in materials science. Nonetheless, unveiling the mechanisms of densification, which relies heavily on precise and comprehensive structural analysis, remains a challenge. Herein, we investigated the archetypal B4 → B1 phase transition pathway in ZnO by combining
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Structural and physical properties of Ni 1−x V x alloys around and away from quantum critical point J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Jaskirat Brar, Swati Pathak, S Khalid, R Rawat, R S Singh, R Bindu
We investigate the room temperature structure (global and local), temperature dependent magnetic and transport behaviour of Ni 1−x V x ( 0⩽x⩽0.13 ) alloys. Our Energy Dispersive Analysis of x-rays results show that the prepared compositions are stoichiometric. With increase in V doping, the compounds exhibit a quantum phase transition around x c = 0.12, where the ferromagnetic phase is suppressed.
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Dimensionality effects on trap-assisted recombination: the Sommerfeld parameter J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Mark E Turiansky, Audrius Alkauskas, Chris G Van de Walle
In the context of condensed matter physics, the Sommerfeld parameter describes the enhancement or suppression of free-carrier charge density in the vicinity of a charged center. The Sommerfeld parameter is known for three-dimensional systems and is integral to the description of trap-assisted recombination in solids. Here we derive the Sommerfeld parameter in one and two dimensions and compare with
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Predicting materials properties with generative models: applying generative adversarial networks for heat flux generation J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Qi Kong, Yasushi Shibuta
In the realm of materials science, the integration of machine learning techniques has ushered in a transformative era. This study delves into the innovative application of generative adversarial networks (GANs) for generating heat flux data, a pivotal step in predicting lattice thermal conductivity within metallic materials. Leveraging GANs, this research explores the generation of meaningful heat
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C, Ge-doped h-BN quantum dot for nano-optoelectronic applications J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Hoang Van Ngoc, Chu Viet Ha
Emerging materials, particularly nanomaterials, constitute an enduring focal point of scientific inquiry, with quantum dots being of particular interest. This investigation is centered on elucidating the exceptional structural, electromagnetic, and optical characteristics of hexagonal boron nitride (h-BN) quantum dots and h-BN quantum dots doped with carbon (C) and germanium (Ge). The employed methodology
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Pockets, jumps and filaments: classifying ionic motion and determining the role of structure in electrochemical properties of 2Li2S-GeS2 superionic glasses J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Matthieu Micoulaut
The structural properties of a typical solid electrolyte system (2Li2S-GeS2) is investigated from First principles molecular dynamics simulations. Results reveal that depolymerization of the base GeS2 network by alkali additives takes place but appears reduced with respect to the corresponding sodium analog glass. Experimental structure functions are reproduced and reveal that the network is dominated
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Influence of the magnetic field on the nucleation and properties of 0-degree domain walls in uniaxial films with inhomogeneous magnetoelectric interaction J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 R M Vakhitov, A R Nizyamova, R V Solonetsky
This study investigates the behavior of 0°-domain walls arising in uniaxial magnetic films with a flexomagnetoelectric (FME) effect in a magnetic field. It is shown that at certain magnetic field orientations, it is possible to significantly enhance (or weaken) the degree of manifestation of the FME effect in the studied films. In addition, by varying the magnitude and direction of the magnetic field
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Band gap characteristics of new composite multiple locally resonant phononic crystal metamaterial J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-14 Peng Xiao, Linchang Miao, Haizhong Zheng, Lijian Lei
Locally resonant phononic crystal (LRPC) exhibit elastic wave band gap characteristics within a specific low-frequency range, but their band gap width is relatively narrow, which has certain limitations in practical engineering applications. In order to open a lower frequency band gap and broaden the band gap range, this paper proposes a new composite multiple locally resonant phononic crystal (CMLRPC)
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Magnetic tunability in tetragonal Mn–Rh–Ir–Sn inverse Heusler compounds J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-13 Eve M Mozur, Ram Seshadri
Gaining control over magnetic structure has been an ongoing challenge in materials that form complex, nanoscale, and non-collinear magnetic configurations. Recently, it was predicted that tuning the ratio of the Dzyaloshinskii–Moriya interaction to the uniaxial magnetic anisotropy in tetragonal inverse Heuslers through changes in composition could allow a range of interesting magnetic states to be
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Magnetic anisotropy and ferromagnetic resonance in inhomogeneous demagnetizing fields near edges of thin magnetic films J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-13 P N Solovev, B A Belyaev, N M Boev, G V Skomorokhov, A V Izotov
Using local ferromagnetic resonance spectroscopy, we have studied the magnetic properties near edges of thin tangentially magnetized permalloy films, in which a well-defined uniaxial magnetic anisotropy was induced perpendicular to one of the edges. In the experiment, two samples with thicknesses of 90 and 300 nm and with slightly different compositions were examined. To explain the magnetization dynamics
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Mechanical properties of bilayer WS2 and Graphene-WS2 Hybrid composites by molecular dynamics simulations J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-12 Fan Wu, Huifeng Tan, Maurizia Palummo, Luca Camilli
Abstract In the present work, by using molecular dynamics (MD) simulations, we investigate the mechanical properties of different nanostructures that may be core elements in next generation flexible/wearable photovoltaic devices, namely double layer WS2 nanosheets (DLNS), graphene/WS2 (layer) composites and graphene/WS2 nanotube (NT) composites. Our results reveal that the mechanical properties of
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Magnetic properties of ferro-antiferromagnetic spin triangle chain J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-12 D V Dmitriev, V Ya Krivnov
Frustrated spin- 12 model consisting of a linear chain of triangles with ferro (F)- and antiferromagnetic interactions connected by ferromagnetic interactions (triangles chain) is studied. The ground state phase diagram depending on the interaction ratios consists of ferromagnetic, two ferrimagnetic and singlet phases. The magnetic properties in these phases are analyzed both analytically and numerically
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The effect of crystallographic orientation of α-Al2O3 on the wetting behavior and adhesion characteristics of aluminum droplets J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-12 Junting Zhuo, Zhiyuan Rui, Xin Lyu, Dongyun He, Simin Ding, Huaming Sun, Yun Dong
To solve the problem of adhesion of aluminum fluid to the inner wall of the vacuum ladle in the aluminum electrolysis industry, molecular dynamics simulation is performed to research the wetting behavior of Al droplets on the surfaces of the α-Al2O3 substrates C (0001), M ( 11ˉ00 ), and R ( 11ˉ02 ) at 1073 K. Meanwhile, the adhesion characteristics of the Al droplet are evaluated by the potential of
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Extraordinary Optical and Transport Properties of Disordered Stealthy Hyperuniform Two-Phase Media J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-09 Jaeuk Kim, Salvatore Torquato
Abstract Disordered stealthy hyperuniform two-phase media are a special subset of hyperuniform structures with novel physical properties due to their hybrid crystal-liquid nature. We have previously shown that the rapidly converging strong-contrast expansion of a linear fractional form of the effective dynamic dielectric constant εe(k1,ω) [Phys. Rev. X 11, 296 021002 (2021)] leads to accurate approximations
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Proton-fluence dependent magnetic properties of exfoliable quasi-2D van der Waals Cr2Si2Te6 magnet J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-09 Hector Iturriaga, Ju Chen, Jing Yang, Luis Martinez, Lin Shao, Yu Liu, Cedomir Petrovic, Martin Kirk, SRINIVASA RAO SINGAMANENI
Abstract The discovery of long-range magnetic ordering in atomically thin materials catapulted the van der Waals (vdW) family of compounds into an unprecedented popularity, leading to potentially important technological applications in magnetic storage and magneto-transport devices, as well as photoelectric sensors. With the potential for the use of vdW materials in space exploration technologies it
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Effect of a flat band on a multiband two-dimensional Lieb lattice with intra- and interband interactions J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-09 Julián Faúndez, S G Magalhães, P S Riseborough, Sebastian E Reyes-Lillo
In this study, we explore the effect of a single flat band in the electronic properties of a ferromagnetic two-dimensional Lieb lattice using the multiband Hubbard model with polarized carriers, spin-up and spin-down. We employ the self-consistent dynamical mean field theory and a Green functions cumulant expansion around the atomic limit to obtain the correlated densities of states while varying the
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High-pressure induces topology boosting thermoelectric performance of Bi2Te3 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-08 Jiaen Cheng, Fei Wang, Min Lian, Dianzhen Wang, Lu Wang, Cun You, Xinglin Wang, Yufei Ge, Xiao Liang, Qiang Tao, Yanli Chen, Pinwen Zhu
Abstract Decoupling conductivity (σ) and Seebeck coefficient (S) by electronic topological transitions (ETT) under high pressure (2-4 GPa) is a promising method for Bi2Te3 to optimize thermoelectric (TE) performance. However, the S cannot dramatically increase with increasing σ when ETT occurs in Bi2Te3, which impedes optimizing TE performance by utilizing ETT in Bi2Te3. A new strategy of enhanced
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Regulation of interfacial Dzyaloshinskii−Moriya interaction in ferromagnetic multilayers J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-08 Yufei Meng, Fei Meng, Mingxuan Hou, Qianqi Zheng, Boyi Wang, Ronggui Zhu, Chun Feng, Guanghua Yu
Interfacial Dzyaloshinskii–Moriya interaction (i-DMI) exists in the film materials with inversion symmetry breaking, which can stabilize a series of nonlinear spin structures and control their chirality, such as Néel-type domain wall, magnetic skyrmion and spin spiral. In addition, the strength and chirality of i-DMI are directly related to the dynamic behavior of these nonlinear spin structures. Therefore
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Spin-photon interaction in a nanowire quantum dot with asymmetrical confining potential J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-07 Rui Li
The electron (hole) spin–photon interaction is studied in an asymmetrical InSb (Ge) nanowire quantum dot. The spin–orbit coupling in the quantum dot mediates not only a transverse spin–photon interaction, but also a longitudinal spin–photon interaction due to the asymmetry of the confining potential. Both the transverse and the longitudinal spin–photon interactions have non-monotonic dependence on
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Transfer learning from Hermitian to non-Hermitian quantum many-body physics J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-02-07 Sharareh Sayyad, Jose L Lado
Identifying phase boundaries of interacting systems is one of the key steps to understanding quantum many-body models. The development of various numerical and analytical methods has allowed exploring the phase diagrams of many Hermitian interacting systems. However, numerical challenges and scarcity of analytical solutions hinder obtaining phase boundaries in non-Hermitian many-body models. Recent