By introducing biquadratic together with usual bilinear ferromagnetic nearest neighbor exchange interaction in a square lattice, we find that the energy of the spin-wave mode is minimized at a finite wavevector for a vanishingly small Dzyaloshinskii–Moriya interaction (DMI), supporting a ground state with spin-spiral structure whose pitch length is unusually short as found in some of the experiments

Li3((LiCr)(Te/Sb))O6 compounds where Cr atoms along with Li and Te or Sb are part of a honeycomb and are studied using magnetic susceptibility, specific heat, x-ray photoelectron spectroscopy and neutron diffraction. The oxides stoichiometries as determined from the neutron diffraction studies are Li4.47Cr0.53TeO6 and Li3.88Cr1.12SbO6 with a stable oxidation state of +3 for Cr. Both the compounds crystallize

We investigate the evolution of multicritical points under pressure and magnetic field in a model described by two 5f bands (called α and β) that hybridize with a single itinerant conduction band. The interaction is given by the direct Coulomb and the Hund’s rule exchange terms. Three types of orderings are considered: two conventional spin density waves (SDWs) and an exotic SDW, i.e., with no magnetic

We study the suppression of superconductivity with ultrashort laser pulse in the presence of transport current. The theoretical model is based on the Bardeen–Cooper–Schrieffer relations for the superconducting state coupled with kinetic equations for nonequilibrium Bogoliubov quasiparticles and phonons. The results of numerical simulation for picosecond and femtosecond laser pulses of optical and infrared

The recent interest in the low-energy states in vortices of semiconductor–superconductor heterostructures are mainly fuelled by the prospects of using Majorana zero modes for quantum computation. The knowledge of low-lying states in the vortex core is essential as they pose a limitation on the topological computation with these states. Recently, the low-energy spectra of clean heterostructures, for

The 6H-perovskites Ba3(R/M)Ru2O9 (R = rare Earth, M = transition metal) exhibit complex magnetism and have been extensively studied recently for their magnetodielectric (MD) properties. Here, we present a detailed study of structural, magnetic, thermodynamic and MD properties of a 6H-perovskite Ba3DyRu2O9. This compound is found to undergo long range antiferromagnetic ordering below ∼5.8K (T N), along

A15 Nb3Si is, until now, the only ‘high’ temperature superconductor produced at high pressure (∼110GPa) that has been successfully brought back to room pressure conditions in a metastable condition. Based on the current great interest in trying to create metastable-at-room-pressure high temperature superconductors produced at high pressure, we have restudied explosively compressed A15 Nb3Si and its

We investigate the electric response of chiral phonons on the low-buckled group-IVA monolayers by performing first-principles calculations. The vertical electric field breaks the degeneracy of phonon modes at high-symmetry K points of the phonon Brillouin zone, and the size of the phononic gap is proportional to the strength of the electric field. The gapped phonon modes at K possess chiralities with

High-quality MAPbX 3 (X = I, Br, Cl) single crystals with a desirable size were grown through an inverse temperature crystallization method. Systematically measurements of current–voltage (I–V) hysteresis show that the hysteresis is strongly dependent on the measuring protocol, including scan rate and light illumination condition, which reveals the competition of three main factors that influence the

In a combined experimental and theoretical study, we investigated how Fe and Co adlayers on W(110) affect the Dirac-type surface state (DSS). Angle-resolved photoelectron spectroscopy data show an increase in binding energy of 75meV and 107meV for Fe and Co, respectively. In order to identify the origin of the energy shift we performed first-principles calculations of the surface electronic structure

We examine the macroscopic deformation of a colloidal depletion gel subjected to a step shear stress. Three regimes are identified depending on the magnitude of the applied stress: (i) for stresses below yield stress, the gel undergoes a weak creep in which the bulk deformation grows sublinearly with time similar to crystalline and amorphous solids. For stresses above yield stress, when the bulk deformation

We explore the non-Hermitian extension of quantum chemistry in the complex plane and its link with perturbation theory. We observe that the physics of a quantum system is intimately connected to the position of complex-valued energy singularities, known as exceptional points. After presenting the fundamental concepts of non-Hermitian quantum chemistry in the complex plane, including the mean-field

We study the group velocities of electronic states and distributions of currents in lattice ribbons under a uniform perpendicular magnetic field. Using the effective low-energy model we analyze all possible simple configurations of lattice termination with zigzag and armchair boundaries. We show that the edge current depends on the type of zigzag termination, and can be zero or finite near the edge

In this work, the structural, electrical, and optical properties of bilayer SiX (X= N, P, As, and Sb) are studied using density functional theory. Five different stacking orders are considered for every compound and their structural properties are presented. The band structure of these materials demonstrates that they are indirect semiconductors. The out-of-plane strain has been applied to tune the

Quantum capacitance effect is observed in nanostructured material stacks with quantum limited density of states. In contrast to conventional structures where two-dimensional electron gases (2DEG) with reduced density of states interact with a metal plate, here we explore the quantum capacitance effect in a unique structure formed by two 2DEG in a graphene sheet and AlGaN/GaN quantum well. The total

The experimental thermal neutron cross sections of the 20 proteinogenic amino acids have been measured over the incident-neutron energy range spanning from 1 meV to 10 keV and data have been interpreted using the multi-phonon expansion based on first-principles calculations. The scattering cross section, dominated by the incoherent inelastic contribution from the hydrogen atoms, can be rationalised

The thermal conductivity (κ) of nonmetals is determined by the constituent atoms, the crystal structure and interatomic potentials. Although the group-IV elemental solids Si, Ge and diamond have been studied extensively, a detailed understanding of the connection between the fundamental features of their energy landscapes and their thermal transport properties is still lacking. Here, starting from

Controlling phonon transport via its wave nature in nanostructures can achieve unique properties for various applications. In this paper, thermal conductivity of heterogeneous nano cross junction (hetero-NCJ) is studied through molecular dynamics simulation. It is found that decreasing or increasing the atomic mass of four side wires (SWs) severed as resonators, thermal conductivity of hetero-NCJ is

Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) predicted high-temperature superconductivity in hydrogen-rich metallic alloys, based on an idea that these compounds should exhibit high Debye frequency of the proton lattice, which boosts the superconducting transition temperature, T c. The idea has got full confirmation more than four decades later when Drozdov etal (2015 Nature 525 73) experimentally

Calcium aluminotitanate (CaO–Al2O3–TiO2) ternary oxides are of fundamental interest in Materials as well as Earth and environmental science, and a key system for several industrial applications. As their properties at the atomic scale are scarcely known, interionic interactions for the melts are built from a bottom up strategy consisting in fitting first only Al2O3, CaO and TiO2 single oxide compounds

The chemical and structural characteristics of a low-dimensional Au–Si surface alloy are presented in this work. Alloy formation was obtained by deposition of a sub-monolayer Si on Au(110). This preliminary phase to Si nano-ribbons is being investigated, as the transition from clean Au(110) to a silicon nano-ribbon coated surface is not yet understood. A multiple technique study has been carried out

Use of in situ combined x-ray diffraction and x-ray absorption spectroscopy for the study of the thermal decomposition of zinc peroxide to zinc oxide is reported here. Comparison of data extracted from both x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) with thermo gravimetric analysis (TGA) enabled us to follow the nature of the conversion of ZnO2 to ZnO. A temperature range between

The magnetic inertial dynamics have previously been investigated for one sublattice ferromagnets. Here, we develop the magnetization dynamics in two-sublattice ferromagnets including the intra- and inter-sublattice inertial dynamics. First, we derive the magnetic susceptibility of such a ferromagnet. Next, by finding the poles of the susceptibility, we calculate the precession and nutation resonance

We investigate the detailed analysis of the magnetic properties in a series of Pr1–x Sm x FeO3 single crystals from x = 0 to 1 with an interval of 0.1. Doping controlled spin reorientation transition temperature T SR Γ4 (G x , A y , F z ) to Γ2 (F x , C y , G z ) covers a wide temperature range including room temperature. A ‘butterfly’-shape type-I spin switching with 180 magnetization reversal occurs

The double perovskite compound Tb2CoMnO6 has been investigated using x-ray absorption spectroscopy (XAS), Raman spectroscopy, magnetic measurements and ab initio band structure calculations. It is observed that both anti-ferromagnetic (AFM) and ferromagnetic (FM) phase coexist in this material. The presence of anti-site disorder (ASD) has been established from the analysis of neutron diffraction data

In this paper structure, magnetic and magneto-thermal properties: magnetic entropy change (ΔS m) and refrigeration capacity (q) of Er1–x Y x (Co0.84Fe0.16)2 alloys (x = 0, 0.2, 0.4, 0.6, 0.8, 1) in magnetic fields up to 90 kOe in a temperature range of 5–360K are investigated. An analysis of temperature dependences of magnetization (σ) and high-field susceptibility (χ hf) showed that in these compounds

The structure and properties at a finite temperature are critical to understand the temperature effects on energetic materials (EMs). Combining dispersion-corrected density functional theory with quasi-harmonic approximation, the thermodynamic properties for several representative EMs, including nitromethane, PETN, HMX, and TATB, are calculated. The inclusion of zero-point energy and temperature effect

Fragility constitutes a major parameter of supercooled liquids. The phenomenological definition of this quantity is related to the rate of a change of the shear viscosity η at the glass transition temperature. Although a large number of correlations of the fragility with different properties of metallic glasses were reported, an adequate understanding of its physical nature is still lacking. Attempting

The influence of Y- and La-substitution for Ce on the competing Kondo effect and magnetic ordering, as well as on spin dynamics in the Kondo semiconductor CeRu2Al10 have been investigated by means of thermal, electronic, and magnetic properties. The parent compound CeRu2Al10 is known to be a controversial antiferromagnet with high magnetic ordering temperature T 0 = 27K. A small negative chemical pressure

Highly unconventional behavior of the thermodynamic response functions has been experimentally observed in a narrow gap semiconductor samarium hexaboride. Motivated by these observations, we use renormalization group technique to investigate many-body instabilities in the f-orbital narrow gap semiconductors with band inversion in the limit of weak coupling. By projecting out the double occupancy of

We report on an investigation of the temperature-dependent ordering of the hydrogen/deuterium atoms in geometrically frustrated magnets Co2(OH)3Br and its deuterated Co2(OD)3Br, to shed light on the origin of the newly-identified ferroelectricity using Raman spectroscopy. Significant changes in the Raman frequencies and line-widths of the Raman-active modes were observed below ∼260K in Co2(OD)3Br and

This work discusses a jellium scheme, built within the framework of the multicomponent Ornstein–Zernike (OZ) equation, which is capable of describing the collective structure of suspensions of highly charged colloids with added salt, even in the presence of finite-size multivalent microions. This approach uses a suitable approximation to decouple the microion–microion correlations from the macroion–microion

Dislocations often occur in thin films with large misfit strain as a result of strain energy accumulation and can drastically change the film properties. Here the structure and dislocations in oxide heterostructures with large misfit strain are investigated on atomic scale. When grown on SrTiO3 (001), the dislocations in both the monolithic BaTiO3 thin film and its superlattices with SrIrO3 appear

We report scanning tunneling microscopy (STM) studies of individual adatoms deposited on an InSb(110) surface. The adatoms can be reproducibly dropped off from the STM tip by voltage pulses, and impact tunneling into the surface by up to ∼100. The spatial extent and magnitude of the tunneling effect are widely tunable by imaging conditions such as bias voltage, set current and photoillumination. We

Using operando Bragg coherent x-ray diffraction imaging, we visualised three-dimensionally a single twinned-gold nanocrystal during the CO oxidation reaction. We describe the defect dynamics process occurring under operating conditions and indicate the correlation between the nucleation of highly strained regions at the surface of the nanocrystal and its catalytic activity. Understanding the twinning

Synchrotrons and free electron lasers are unique facilities to probe the atomic structure and electronic properties of matter at extreme thermodynamical conditions. In this context, ‘matter at extreme pressures and temperatures’ was one of the science drivers for the construction of low emittance 4th generation synchrotron sources such as the Extremely Brilliant Source of the European Synchrotron Radiation

Amorphous materials exhibit peculiar mechanical and vibrational properties, including non-affine elastic responses and excess vibrational states, i.e., the so-called boson peak (BP). For polymer glasses, these properties are considered to be affected by the bending rigidity of the constituent polymer chains. In our recent work [Tomoshige, etal 2019, Sci. Rep. 9 19514], we have revealed simple relationships

The structure of Cu67Zr33 amorphous alloy was investigated in terms of packing density and free volume by using neutron, x-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC model was analysed by a method of decomposing the three-dimensional atomic configuration into fundamental polyhedral units (termed as ‘holes’ referencing the Bernal’s works) of which faces are all triangles consisting

Unconventional superconductivity and magnetism are intertwined on a microscopic level in a wide class of materials, including high-T c cuprates, iron pnictides, and heavy-fermion compounds. Interactions between superconducting electrons and bosonic fluctuations at the interface between adjacent layers in heterostructures provide a new approach to this most fundamental and hotly debated subject. We

Modulated structure of Ni–Mn–Ga-based alloys is decisive in their magnetic shape memory (MSM) functionality. However, the precise nature of their five-layered modulated 10M martensite is still an open question. We used x-ray and neutron diffraction experiments on single crystals to investigate structural changes within 10M-modulated martensite of the Ni50Mn27Ga22Fe1 MSM alloy. The modulation vector

When the skyrmion dynamics beyond the particle-like description is considered, this topological structure can deform due to a self-induced field. In this work, we perform Monte Carlo simulations to characterize the skyrmion deformation during its steady movement. In the low-velocity regime, the deformation in the skyrmion shape is quantified by an effective inertial mass, which is related to the dissipative

We examine electronic and crystal structures of iron-based superconductors LnFeAsO1−x H x (Ln = La, Sm) under pressure by means of x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), and x-ray diffraction. In LaFeAsO the pre-edge peak on high-resolution XAS at the Fe-K absorption edge gains in intensity on the application of pressure up to 5.7GPa and it saturates in the higher pressure

A carrier doping by a hydrogen substitution in LaFeAsO1−x H x is known to cause two superconducting (SC) domes with the magnetic order at both end sides of the doping. In contrast, SmFeAsO1−x H x has a similar phase diagram but shows single SC dome. Here, we investigated the electronic and crystal structures for iron oxynitride LnFeAsO1−x H x (Ln = La, Sm) with the range of x = 0–0.5 by using x-ray

Magnetotransport properties of zigzag and armchair graphene nanoribbons that are in contact with superconductors are investigated using a tight-binding model. The cyclotron orbital motion together with the quantum interference under the coexistence of Andreev and normal reflections gives rise to a number of oscillations in characteristic magnetic-field regimes when the superconducting coupling is weak

We study topological surface-plasmon-polaritons at optical frequencies in tri-harmonic diffraction gratings formed at a metal–dielectric interface. The latter are shown to well approximate a bipartite Kronig–Penney model. Topologically protected localised modes are then predicted to occur at the edges of the grating and at defects formed by the combination of two mirror antisymmetric corrugations,

Based on a mean-field description of thermodynamic cyclic voltammograms (CVs), we analyze here in full generality, how CV peak positions and shapes are related to the underlying interface energetics, in particular when also including electrostatic double layer (DL) effects. We show in particular, how non-Nernstian behaviour is related to capacitive DL charging, and how this relates to common adsorbate-centered

Phase formation and evolution was investigated in the CaO–SiO2 system in the range of 70–80 mol% CaO. The samples were container-less processed in an aerodynamic levitation system and crystallization was followed in situ by synchrotron x-ray diffraction at the beamline P21.1 at the German electron synchrotron (DESY). Modification changes of di- and tricalcium silicate were observed and occurred at

The present study reports on the structural and magnetic phase transitions in Pr-doped polycrystalline Tb0.6Pr0.4MnO3, using high-resolution neutron powder diffraction (NPD) collected at SINQ spallation source, to emphasize the suppression of the sinusoidal magnetic structure of pure TbMnO3 and the evolution to a collinear A-type antiferromagnetic ordering. The phase purity, Jahn–Teller distortion

Recently, superconductivity at about 9–15K was discovered in Nd1−x Sr x NiO2 (Nd-112, x ≈ 0.125–0.25) infinite-layer thin films, which has stimulated enormous interests in related rare-earth nickelates. Usually, the first step to synthesize this 112 phase is to fabricate the RNiO3 (R-113, R: rare-earth element) phase, however, it was reported that the 113 phase is very difficult to be synthesized successfully

We study supersolid-like states in a quasi-two-dimensional trapped Rashba and Dresselhaus spin–orbit (SO) coupled spin-1 condensate. For small strengths of SO coupling γ (γ ⪅ 0.75), in the ferromagnetic phase, circularly-symmetric (0, 1, 2)- and (∓1, 0, 1)-type states are formed where the numbers in the parentheses denote the angular momentum of the vortex at the center of the components and where

Type-I heterostructure, in which electrons and holes are confined in same region, is widely used in light emitting diodes and semiconductor lasers. Type-II heterostructure is widely used in photovoltaic devices because of its excellent spatial separation property of electrons and holes. Can we integrate photovoltaic, photoelectric properties with luminescent property in one device? Here we report a

MgO ultrathin films are of great technological importance as electron tunneling barrier in electronics and spintronics, and as template for metallic clusters in catalysis and for molecular networks for 2D electronics. The wide band-gap of MgO allows for a very effective decoupling from the substrate. The films morphology and the detailed structure of the interface are crucial for applications, controlling

Polyethylene (PE) telechelics with carboxylate functional groups at both ends have been shown to assemble into hexagonal nanocrystal platelets with a height defined by their chain length in basic CsOH-solution. In this coarse grained (CG) simulation study we show how properties of the functional groups alter the aggregation and crystallization behavior of those telechelics. Systematic variation of

We study a frustrated two-leg spin ladder with alternate isotropic Heisenberg and Ising rung exchange interactions, whereas, interactions along legs and diagonals are Ising-type. All the interactions in the ladder are anti-ferromagnetic in nature and induce frustration in the system. This model shows four interesting quantum phases: (i) stripe rung ferromagnetic (SRFM), (ii) stripe rung ferromagnetic

The ultrathin films of pyrochlore lattice along [111] direction provide a fertile ground for exploring topological states in oxide materials, where the electron correlations are strong and magnetically ordered states are favored. As a result of strong interactions, most of states are magnetic insulators with strong Dzyaloshinskii–Moriya and anisotropic spin interactions. We considered three types of

In this paper, we theoretically investigate the effect of temperature on spin correlations in an unpolarized quasi-one-dimensional electron gas (Q1DEG). The correlations are treated dynamically within quantum version of the self-consistent mean-field approach of Singwi etal Numerical results for the ↑↑ and ↑↓ components of static structure factor and pair-correlation function, and the wave vector dependent

Niobium’s superconducting properties are affected by the presence and precipitation of impurities in the near-surface region. A systematic wide-temperature range x-ray diffraction study is presented addressing the effect of low temperatures (108 K–130K) and annealing treatments (523K in nitrogen atmosphere, 400K in UHV) on the near-surface region of a hydrogen-loaded Nb(100) single-crystal. Under these

The effect of in situ oxygen and vacuum annealings on the low bandwidth manganite Gd1−x Ca x MnO3 (GCMO) thin film with x = 0.4 was investigated. Based on the magnetic measurements, the AFM–FM coupling is suppressed by the vacuum annealing treatment via destroying the double exchange interaction and increasing the unit cell volume by converting the Mn4+ to the Mn3+. Consequently, resistance increases

The magnetic ground state of polycrystalline Nel skyrmion hosting material GaV4S8 has been investigated using ac susceptibility and powder neutron diffraction. In the absence of an applied magnetic field GaV4S8 undergoes a transition from a paramagnetic to a cycloidal state below 13K and then to a ferromagnetic-like state below 6K. With evidence from ac susceptibility and powder neutron diffraction

The prospect of using Tm2+-doped halides for luminescence solar concentrators (LSCs) requires a thorough understanding of the temperature dependent Tm2+ excited states dynamics that determines the internal quantum efficiency (QE) and thereby the efficiency of the LSC. In this study we investigated the dynamics in CaX 2:Tm2+ (X = Cl, Br, I) by temperature- and time-resolved measurements. At 20K up to