journal article·2020-11

First-principles study on the structural stability and electronic properties of GaAs/Ga1−xAlxAs superlattice nanowires

Lei Liu, Yu Diao, Sihao Xia

Journal of Nanoparticle Research· Volume 22· Issue 11
Publisher page

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.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Nanowire Synthesis and Applications · Semiconductor Quantum Structures and Devices · Semiconductor materials and interfaces

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (31)

Show source-provided references
1. Barnham KWJ, Mazzer M, Clive B (2016) Resolving the energy crisis: nuclear or photovoltaics? Nat Mater 5:161–16410.1038/nmat1604 ↗
2. Cahangirov S, Ciraci S (2009) First-principles study of GaAs nanowires. Phys Rev B 79:16511810.1103/PhysRevB.79.165118 ↗
3. 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 13:20710.1186/s11671-018-2625-z ↗
4. 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 194:510–51810.1016/j.solener.2019.11.025 ↗
5. Diao Y, Liu L, Xia SH (2019b) Exploration the p-type doping mechanism of GaAs nanowires from first-principles study. Phys Lett A 383:202–20910.1016/j.physleta.2018.10.037 ↗
6. 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 10:807–81710.1007/s13204-019-01156-5 ↗
7. 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 367:149–15410.1016/j.optcom.2016.01.031 ↗
8. 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 87:07530810.1103/PhysRevB.87.075308 ↗
9. 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 413:1–710.1016/j.optcom.2017.12.027 ↗
10. 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 91:2350210.1063/1.2753729 ↗
11. 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 81:15531110.1103/PhysRevB.81.155311 ↗
12. Kamaratos M, Bauer E (1991) Interaction of Cs with the GaAs (100) surface. J Appl Phys 70:7564–757210.1063/1.349711 ↗
13. Kurtz S, Geisz J (2010) Multijunction solar cells for conversion of concentrated sunlightto electricity. Opt Express 18:A73–A7810.1364/OE.18.000A73 ↗
14. Lindan PJD (2002) First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics Condensed Matter 14:2717–274410.1088/0953-8984/14/11/301 ↗
15. Liu L, Diao Y, Xia SH (2019) High-performance GaAs nanowire cathode for photon-enhanced thermionic emission solar converters. J Mater Sci 54:5605–561410.1007/s10853-018-03231-8 ↗
16. 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 52:34–3910.1016/j.physe.2013.03.025 ↗
17. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Physics Review Letters 77:3865–386810.1103/PhysRevLett.77.3865 ↗
18. Rosini M, Magri R (2010) Surface effects on the atomic and electronic structure of unpassivated GaAs nanowires. ACS Nano 4:6021–603110.1021/nn1015488 ↗
19. Sandovsky R, Segev G, Kribus A (2016) Investigation of contact grid geometry for photon-enhanced thermionic emission (PETE) silicon based solar converters. Sol Energy 133:259–27310.1016/j.solener.2016.03.066 ↗
20. 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 9:762–76710.1038/nmat2814 ↗
21. 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 140:464–47610.1016/j.solmat.2015.05.001 ↗
22. 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 115:14449–1445410.1021/jp112002n ↗
23. 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 120:22088–2209510.1021/acs.jpcc.6b07624 ↗
24. 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 54:301–30710.1016/j.physe.2013.07.007 ↗
25. 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 402:85–9010.1016/j.optcom.2017.05.030 ↗
26. 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 28:423–43410.1116/1.3368466 ↗
27. Woodall JM, Hovel HJ (1977) An isothermal etchback-regrowth method for high-efficiency Ga1-xAlxAs-GaAs solar cells. Appl Phys Lett 30:493310.1063/1.89461 ↗
28. 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 1096:45–5310.1016/j.comptc.2016.09.034 ↗
29. Xia SH, Liu L, Diao Y, Feng S (2017) Doping process of p-type GaN nanowires: a first principle study. J Appl Phys 122:13510210.1063/1.5006017 ↗
30. 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 132:410–41710.1016/j.solmat.2014.09.027 ↗
31. 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 379:2745–274910.1016/j.physleta.2015.08.012 ↗