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Published in: Journal of Nanoparticle Research 11/2020

01-11-2020 | Research paper

First-principles study on the structural stability and electronic properties of GaAs/Ga1−xAlxAs 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/Ga1−xAlxAs and AlxGa1−xAs/AlyGa1−yAs superlattice nanowires. Calculations show that GaAs/Ga1−xAlxAs superlattice nanowires with smaller Al component spacing have higher structural stability. The increase of Al composition will further weaken the stability of GaAs/Ga1−xAlxAs heterostructure nanowires. Compared with the pure GaAs nanowires, the work function of GaAs/Ga1−xAlxAs 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/AlxGa1−xAs superlattice interface, which will further promote the migration of photoelectrons from low Al composition layer to high Al composition layer. GaAs/Ga1−xAlxAs superlattice nanowires are promising to be the high-performance photocathode materials.

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Literature
go back to reference Barnham KWJ, Mazzer M, Clive B (2016) Resolving the energy crisis: nuclear or photovoltaics? Nat Mater 5:161–164CrossRef Barnham KWJ, Mazzer M, Clive B (2016) Resolving the energy crisis: nuclear or photovoltaics? Nat Mater 5:161–164CrossRef
go back to reference Cahangirov S, Ciraci S (2009) First-principles study of GaAs nanowires. Phys Rev B 79:165118CrossRef Cahangirov S, Ciraci S (2009) First-principles study of GaAs nanowires. Phys Rev B 79:165118CrossRef
go back to reference 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 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
go back to reference 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 (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
go back to reference 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 (2019b) Exploration the p-type doping mechanism of GaAs nanowires from first-principles study. Phys Lett A 383:202–209CrossRef
go back to reference 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 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
go back to reference 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 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
go back to reference 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 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
go back to reference Feng C, Zhang YJ, Qian YS, Wang ZH, Liu J, Chang BK, Shi F, Jiao GC (2018) High-efficiency AlxGa1-xAs/GaAs cathode for photon-enhanced thermionic emission solar energy converters. Opt Commun 413:1–7CrossRef Feng C, Zhang YJ, Qian YS, Wang ZH, Liu J, Chang BK, Shi F, Jiao GC (2018) High-efficiency AlxGa1-xAs/GaAs cathode for photon-enhanced thermionic emission solar energy converters. Opt Commun 413:1–7CrossRef
go back to reference 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 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
go back to reference 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 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
go back to reference Kamaratos M, Bauer E (1991) Interaction of Cs with the GaAs (100) surface. J Appl Phys 70:7564–7572CrossRef Kamaratos M, Bauer E (1991) Interaction of Cs with the GaAs (100) surface. J Appl Phys 70:7564–7572CrossRef
go back to reference Kurtz S, Geisz J (2010) Multijunction solar cells for conversion of concentrated sunlightto electricity. Opt Express 18:A73–A78CrossRef Kurtz S, Geisz J (2010) Multijunction solar cells for conversion of concentrated sunlightto electricity. Opt Express 18:A73–A78CrossRef
go back to reference Lindan PJD (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics Condensed Matter 14:2717–2744CrossRef Lindan PJD (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics Condensed Matter 14:2717–2744CrossRef
go back to reference 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 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
go back to reference 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 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
go back to reference Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Physics Review Letters 77:3865–3868CrossRef Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Physics Review Letters 77:3865–3868CrossRef
go back to reference Rosini M, Magri R (2010) Surface effects on the atomic and electronic structure of unpassivated GaAs nanowires. ACS Nano 4:6021–6031CrossRef Rosini M, Magri R (2010) Surface effects on the atomic and electronic structure of unpassivated GaAs nanowires. ACS Nano 4:6021–6031CrossRef
go back to reference 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 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
go back to reference 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 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
go back to reference 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 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
go back to reference 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, 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
go back to reference 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 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
go back to reference 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 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
go back to reference Wang K, Fu RG, Wang GY, Tran HC, Chang BK, Yang L (2017) High-performance photon-enhanced thermionic emission solar energy converters with AlxGa1−xAs∕GaAs cathode under multilevel built-in electric field. Opt Commun 402:85–90CrossRef Wang K, Fu RG, Wang GY, Tran HC, Chang BK, Yang L (2017) High-performance photon-enhanced thermionic emission solar energy converters with AlxGa1−xAs∕GaAs cathode under multilevel built-in electric field. Opt Commun 402:85–90CrossRef
go back to reference 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 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
go back to reference Woodall JM, Hovel HJ (1977) An isothermal etchback-regrowth method for high-efficiency Ga1-xAlxAs-GaAs solar cells. Appl Phys Lett 30:4933CrossRef Woodall JM, Hovel HJ (1977) An isothermal etchback-regrowth method for high-efficiency Ga1-xAlxAs-GaAs solar cells. Appl Phys Lett 30:4933CrossRef
go back to reference 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, Kong YK (2016) Atomic structures and electronic properties of III-nitride alloy nanowires: a first-principle study. Computational Theoretical Chemistry 1096:45–53CrossRef
go back to reference 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 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
go back to reference 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 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
go back to reference 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 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
Metadata
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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