Abstract
Blue and black phosphorus are the most stable allotropes of phosphorus family. As a new potential semiconductor material, blue phosphorene shows the advantage of its wide indirect bandgap. We investigate fundamental optical properties and tunability of the bandgap of monolayer blue phosphorene based on density functional theory. Our comparative analysis reveals the bandgap adjustability of blue P along the polarization direction and that the plasmons resonance mode of blue phosphorene in different polarization directions. Besides, we report a unique 2D rectangular semiconductor-metal hybrid nanostructures, the monolayer rectangle blue phosphorene inserted into the Au nanowires. Owing to surface plasmon polaritons (SPPs), the absorption spectra of blue phosphorene is broadened and shifted to the infrared region, in which strong characteristic peaks appear and the existence of the coupling of single electron motion and coherent vibration is proved. The results provide the novle principle for optical modulation of blue phosphorene and possible applications in nanoscale plasma devices.
Similar content being viewed by others
Data Availability
All data generated or analyzed during this study are included in this published article.
References
Novoselov KS, Geim AK, Morozov SV, Jiang D, Zhang Y, Dubonos SV, Grigorieva IV, Firsov AA (2004) Electric field effect in atomically thin carbon films. Science 306(5696):666– 669
Geim AK, Grigorieva IV (2013) Van der waals heterostructures. Nature 499(7459):419–425
Balendhran S, Walia S, Nili H, Sriram S, Bhaskaran M (2015) Elemental analogues of graphene: silicene, germanene, stanene, and phosphorene. Small 11(6):640–652
Liu H, Neal AT, Zhu Z, Luo Z, Xu X, Tománek D, Ye PD (2014) Phosphorene: an unexplored 2d semiconductor with a high hole mobility. ACS Nano 8(4):4033–4041
Li L, Yu Y, Ye GJ, Ge Q, Ou X, Wu H, Feng D, Chen XH, Zhang Y (2014) Black phosphorus field-effect transistors. Nat Nanotechnol 9(5):372
Carvalho A, Wang M, Zhu X, Rodin AS, Su H, Neto AHC (2016) Phosphorene: from theory to applications. Nature Reviews Materials 1(11):1–16
Zhu Z, Tománek D (2014) Semiconducting layered blue phosphorus: a computational study. Phys Rev Lett 112(17):176802
Chen C, Lu X, Deng B, Chen X, Guo Q, Li C, Ma C, Yuan S, Sung E, Watanabe K, et al. (2020) Widely tunable mid-infrared light emission in thin-film black phosphorus. Science Advances 6(7):eaay6134
Buscema M, Groenendijk DJ, Blanter SI, Steele GA, Van Der Zant HS, Castellanos-Gomez A (2014) Fast and broadband photoresponse of few-layer black phosphorus field-effect transistors. Nano Lett 14(6):3347–3352
Guan J, Zhu Z, Tománek D (2014) Phase coexistence and metal-insulator transition in few-layer phosphorene: a computational study. Phys Rev Lett 113(4):046804
Wu M, Fu H, Zhou L, Yao K, Zeng XC (2015) Nine new phosphorene polymorphs with non-honeycomb structures: a much extended family. Nano Lett 15(5):3557–3562
Wang H, Li X, Liu Z, Yang J (2017) ψ-phosphorene: a new allotrope of phosphorene. Phys Chem Chem Phys 19(3):2402–2408
Han WH, Kim S, Lee IH, Chang KJ (2017) Prediction of green phosphorus with tunable direct band gap and high mobility. J Phys Chem Lett 8(18):4627–4632
Zhang JL, Zhao S, Han C, Wang Z, Zhong S, Sun S, Guo R, Zhou X, Gu CD, Yuan KD, et al. (2016) Epitaxial growth of single layer blue phosphorus: a new phase of two-dimensional phosphorus. Nano Lett 16(8):4903–4908
Ghosh B, Nahas S, Bhowmick S, Agarwal A (2015) Electric field induced gap modification in ultrathin blue phosphorus. Phys Rev B 91(11):115433
Xie J, Si M, Yang D, Zhang Z, Xue D (2014) A theoretical study of blue phosphorene nanoribbons based on first-principles calculations. J Appl Phys 116(7):073704
Peng Q, Wang Z, Sa B, Wu B, Sun Z (2016) Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der waals heterostructures. Scientific Reports 6:31994
Aierken Y, Çakır D, Sevik C, Peeters FM (2015) Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach. Phys Rev B 92(8):081408
Zhu L, Wang SS, Guan S, Liu Y, Zhang T, Chen G, Yang SA (2016) Blue phosphorene oxide: strain-tunable quantum phase transitions and novel 2d emergent fermions. Nano Lett 16(10):6548–6554
Du L, Zheng K, Cui H, Wang Y, Tao L, Chen X (2018) Novel electronic structures and enhanced optical properties of boron phosphide/blue phosphorene and f4tcnq/blue phosphorene heterostructures: a dft+ negf study. Phys Chem Chem Phys 20(45):28777–28785
Sun M, Chou JP, Yu J, Tang W (2017) Electronic properties of blue phosphorene/graphene and blue phosphorene/graphene-like gallium nitride heterostructures. Phys Chem Chem Phys 19(26):17324–17330
Guebrou SA, Symonds C, Homeyer E, Plenet J, Gartstein YN, Agranovich VM, Bellessa J (2012) Coherent emission from a disordered organic semiconductor induced by strong coupling with surface plasmons. Phys Rev Lett 108(6):066401
Islam MA, Church J, Han C, Chung HS, Ji E, Kim JH, Choudhary N, Lee GH, Lee WH, Jung Y (2017) Noble metal-coated mos 2 nanofilms with vertically-aligned 2d layers for visible light-driven photocatalytic degradation of emerging water contaminants. Scientific Reports 7(1):1–10
Wang Y, Kim JC, Wu RJ, Martinez J, Song X, Yang J, Zhao F, Mkhoyan A, Jeong HY, Chhowalla M (2019) Van der waals contacts between three-dimensional metals and two-dimensional semiconductors. Nature 568(7750):70–74
Yue Y, Norikane Y (2020) Gold clay from self-assembly of 2d microscale nanosheets. Nat Commun 11(1):1–9
Sun Y, Wang Y, Chen JY, Fujisawa K, Holder CF, Miller JT, Crespi VH, Terrones M, Schaak RE (2020) Interface-mediated noble metal deposition on transition metal dichalcogenide nanostructures. Nat Chem 12(3):284–293
Liu C, Li H, Xu H, Zhao M, Xiong C, Zhang B, Wu K (2019) Tunable plasmon-induced transparency absorbers based on few-layer black phosphorus ribbon metamaterials. JOSA B 36(11):3060–3065
Zhu Z, Chen C, Liu J, Han L (2018) The electronic and optical properties of au doped single-layer phosphorene. Russ J Phys Chem A 92(1):132–139
Segall M, Lindan PJ, Ma Probert, Pickard CJ, Hasnip PJ, Clark S, Payne M (2002) First-principles simulation: ideas, illustrations and the castep code. J Phys Condens Matter 14(11): 2717
Marques MA, Castro A, Bertsch GF, Rubio A (2003) Octopus: a first-principles tool for excited electron–ion dynamics. Comput Phys Commun 151(1):60–78
Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys Rev B 46(11):6671
Onida G, Reining L, Rubio A (2002) Electronic excitations: density-functional versus many-body green’s-function approaches. Rev Mod Phys 74(2):601
Botti S, Schindlmayr A, Del Sole R, Reining L (2007) Time-dependent density-functional theory for extended systems. Rep Prog Phys 70(3):357
Shu H, Wang Y, Sun M (2019) Enhancing electronic and optical properties of monolayer mose 2 via a mose 2/blue phosphorene heterobilayer. Phys Chem Chem Phys 21(28):15760–15766
Nguyen-Truong HT (2019) Optical absorption and excitation spectra of monolayer blue phosphorene. J Phys Condens Matter 32(9):095702
Prodan E, Radloff C, Halas NJ, Nordlander P (2003) A hybridization model for the plasmon response of complex nanostructures. Science 302(5644):419–422
Yan J, Yuan Z, Gao S (2007) End and central plasmon resonances in linear atomic chains. Phys Rev Lett 98(21):21602
Yan J, Gao S (2008) Plasmon resonances in linear atomic chains: free-electron behavior and anisotropic screening of d electrons. Phys Rev B 78(23):235413
Mishchenko E, Shytov A, Silvestrov P (2010) Guided plasmons in graphene p- n junctions. Phys Rev Lett 104(15):156806
Nilius N, Wallis T, Ho W (2002) Development of one-dimensional band structure in artificial gold chains. Science 297(5588):1853–1856
Yannouleas C, Broglia R (1991) Collective and single-particle aspects in the optical response of metal microclusters. Phys Rev A 44(9):5793
Yannouleas C, Vigezzi E, Broglia RA (1993) Evolution of the optical properties of alkali-metal microclusters towards the bulk: the matrix random-phase-approximation description. Phys Rev B 47(15):9849
Bernath M, Yannouleas C, Broglia R (1991) Deformation effects in the optical response of small metal clusters. Phys Lett A 156(6):307–312
Jain PK, Eustis S, El-Sayed MA (2006) Plasmon coupling in nanorod assemblies: optical absorption, discrete dipole approximation simulation, and exciton-coupling model. J Phys Chem B 110(37):18243–18253
Tsai CY, Lin JW, Wu CY, Lin PT, Lu TW, Lee PT (2012) Plasmonic coupling in gold nanoring dimers: observation of coupled bonding mode. Nano Lett 12(3):1648–1654
Funding
Project supported by the National Key R&D Program of China (2017YFA0303600) and the National Natural Science Foundation of China (Grant No. 11974253) and Science Speciality Program of Sichuan University (Grant No.2020SCUNL210).
Author information
Authors and Affiliations
Contributions
All authors contributed to the study conception and design. The first draft of the manuscript was written by Jingzhi Zhang and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.
Corresponding author
Ethics declarations
Conflict of Interest
The authors declare that they have no conflict of interest.
Additional information
Code Availability
Not applicable.
Publisher’s Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Zhang, J., Zhang, H. Tuning of the Optical Properties of Monolayer Blue Phosphorene. Plasmonics 16, 1213–1221 (2021). https://doi.org/10.1007/s11468-020-01350-0
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11468-020-01350-0