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Journal of Nanoparticle Research

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01-11-2020 | Research paper

First-principles study on the structural stability and electronic properties of GaAs/Ga_1−xAl_xAs superlattice nanowires

Authors: Lei Liu, Yu Diao, Sihao Xia

Published in: Journal of Nanoparticle Research | Issue 11/2020

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Abstract

In this study, the first-principles method is used to study the structural stability and electronic properties of GaAs/Ga_1−xAl_xAs and Al_xGa_1−xAs/Al_yGa_1−yAs superlattice nanowires. Calculations show that GaAs/Ga_1−xAl_xAs superlattice nanowires with smaller Al component spacing have higher structural stability. The increase of Al composition will further weaken the stability of GaAs/Ga_1−xAl_xAs heterostructure nanowires. Compared with the pure GaAs nanowires, the work function of GaAs/Ga_1−xAl_xAs heterostructure nanowires is all reduced, indicating that the variable Al composition heterostructure can enhance the photoemission ability. In addition, heterostructures with different configurations exhibit different electronic properties. Moreover, a powerful built-in electric field is formed across the GaAs/Al_xGa_1−xAs superlattice interface, which will further promote the migration of photoelectrons from low Al composition layer to high Al composition layer. GaAs/Ga_1−xAl_xAs superlattice nanowires are promising to be the high-performance photocathode materials.

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Barnham KWJ, Mazzer M, Clive B (2016) Resolving the energy crisis: nuclear or photovoltaics? Nat Mater 5:161–164CrossRef

Cahangirov S, Ciraci S (2009) First-principles study of GaAs nanowires. Phys Rev B 79:165118CrossRef

Cui Z, Wang X, Li EL, Ding YC, Sun CL, Sun ML (2018) Alkali-metal-adsorbed g-GaN monolayer: ultralow work functions and optical properties. Nanoscale Res Lett 13:207CrossRef

Diao Y, Liu L, Xia SH (2019a) Theoretical analysis and modeling of photoemission ability and photoelectric conversion characteristics of GaAs nanowire cathodes based on photon-enhanced thermionic emission. Sol Energy 194:510–518CrossRef

Diao Y, Liu L, Xia SH (2019b) Exploration the p-type doping mechanism of GaAs nanowires from first-principles study. Phys Lett A 383:202–209CrossRef

Diao Y, Liu L, Xia SH (2020) Photon enhanced thermionic emission solar energy converters with GaAs wire array cathode under external electric field. Appl Nanosci 10:807–817CrossRef

Ding XJ, Ge XW, Zou JJ, Zhang YJ, Peng XC, Deng WJ, Chen ZP, Zhao WJ, Chang BK (2016) Photoemission characteristics of graded band-gap AlGaAs/GaAs wire photocathode. Optical Communications 367:149–154CrossRef

Du YA, Sung S, Kratzer P (2013) As vacancies, Ga antisites and au impurities in zinc blende and Wurtzite GaAs nanowire segments from first principles. Phys Rev B 87:075308CrossRef

Feng C, Zhang YJ, Qian YS, Wang ZH, Liu J, Chang BK, Shi F, Jiao GC (2018) High-efficiency Al_xGa_1-xAs/GaAs cathode for photon-enhanced thermionic emission solar energy converters. Opt Commun 413:1–7CrossRef

Geisz JF, Kurtz S, Wanlass MW, Ward JS, Duda A, Friedman DJ, Olson JM, McMahon WE, Moriarty T, Kiehl J (2007) High-efficiency GaInP/GaAs/InGaAs triple-junction solar cells grown inverted with a metamorphic bottom junction. Appl Phys Lett 91:23502

Ghaderi N, Peressi M, Binggeli N, Akbarzadeh H (2010) Structural properties and energetics of intrinsic and Si-doped GaAs nanowires: first-principles pseudopotential calculations. Phys Rev B 81:155311CrossRef

Kamaratos M, Bauer E (1991) Interaction of Cs with the GaAs (100) surface. J Appl Phys 70:7564–7572CrossRef

Kurtz S, Geisz J (2010) Multijunction solar cells for conversion of concentrated sunlightto electricity. Opt Express 18:A73–A78CrossRef

Lindan PJD (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics Condensed Matter 14:2717–2744CrossRef

Liu L, Diao Y, Xia SH (2019) High-performance GaAs nanowire cathode for photon-enhanced thermionic emission solar converters. J Mater Sci 54:5605–5614CrossRef

Lu PF, Cao HW, Zhang XL, Yu ZY, Cai NN, Gao T, Wang SM (2013) Structural properties and energetics of GaAs nanowires. Physica E: Low-Dimensional Systems and Nanostructures 52:34–39CrossRef

Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Physics Review Letters 77:3865–3868CrossRef

Rosini M, Magri R (2010) Surface effects on the atomic and electronic structure of unpassivated GaAs nanowires. ACS Nano 4:6021–6031CrossRef

Sandovsky R, Segev G, Kribus A (2016) Investigation of contact grid geometry for photon-enhanced thermionic emission (PETE) silicon based solar converters. Sol Energy 133:259–273CrossRef

Schwede JW, Bargatin I, Riley DC, Hardin BE, Rosenthal SJ, Sun Y, Schmitt F, Pianetta P, Howe RT, Shen ZX, Melosh NA (2010) Photon-enhanced thermionic emission for solar concentrator systems. Nat Mater 9:762–767CrossRef

Segev G, Rosenwaks Y, Kribus A (2015) Limit of efficiency for photon-enhanced thermionic emission vs. photovoltaic and thermal conversion. Sol Energy Mater Sol Cells 140:464–476CrossRef

Shu HB, Chen XS, Ding ZL, Dong RB, Lu W (2011) First-principles study of the doping of InAs nanowires: role of surface dangling bonds. J Phys Chem C 115:14449–14454CrossRef

Shu HB, Yang XD, Liang P, Cao D, Chen XS (2016) Impact of surface point defects on electronic properties and p-type doping of GaAs nanowires. J Phys Chem C 120:22088–22095CrossRef

Wan L, Gao T (2013) Structural, electronic properties and stability of Ag-doped GaAs nanowires: first-principles study. Physica E: Low-Dimensional Systems and Nanostructures 54:301–307CrossRef

Wang K, Fu RG, Wang GY, Tran HC, Chang BK, Yang L (2017) High-performance photon-enhanced thermionic emission solar energy converters with Al_xGa_1−xAs∕GaAs cathode under multilevel built-in electric field. Opt Commun 402:85–90CrossRef

Westover TL, Franklin AD, Cola BA, Fisher TS, Reifenberger RG (2010) Photo- and thermionic emission from potassium-intercalated carbon nanotube arrays. J Vac Sci Technol B 28:423–434CrossRef

Woodall JM, Hovel HJ (1977) An isothermal etchback-regrowth method for high-efficiency Ga_1-xAl_xAs-GaAs solar cells. Appl Phys Lett 30:4933CrossRef

Xia SH, Liu L, Diao Y, Kong YK (2016) Atomic structures and electronic properties of III-nitride alloy nanowires: a first-principle study. Computational Theoretical Chemistry 1096:45–53CrossRef

Xia SH, Liu L, Diao Y, Feng S (2017) Doping process of p-type GaN nanowires: a first principle study. J Appl Phys 122:135102CrossRef

Yang Y, Yang WZ, Sun CD (2015) Heterostructured cathode with graded bandgap window-layer for photon-enhanced thermionic emission solar energy converters. Sol Energy Mater Sol Cells 132:410–417CrossRef

Zhang Y, Xie ZX, Deng YX, Yu X (2015) Impurity distribution and ferromagnetism in Mn-doped GaAs nanowires: a first-principle study. Phys Lett A 379:2745–2749CrossRef

Title: First-principles study on the structural stability and electronic properties of GaAs/Ga1−xAlxAs superlattice nanowires
Authors: Lei Liu
Yu Diao
Sihao Xia
Publication date: 01-11-2020
Publisher: Springer Netherlands
Published in: Journal of Nanoparticle Research / Issue 11/2020
Print ISSN: 1388-0764
Electronic ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-020-05074-4

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