journal article·2020-08Open access

Gallium–Boron–Phosphide ($$\hbox {GaBP}2$$): a new III–V semiconductor for photovoltaics

Upendra Kumar, Sanjay Nayak, Soubhik Chakrabarty, Satadeep Bhattacharjee, Seung-Cheol Lee

Journal of Materials Science· Volume 55· Issue 22

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Machine Learning in Materials Science · Chemical and Physical Properties of Materials · Ga2O3 and related materials

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

References (67)

Show source-provided references
1. Shockley W, Queisser HJ (1961) Slip patterns on boron‐doped silicon surfaces. J Appl Phys 32:510–51910.1063/1.1736034 ↗
2. Miller OD, Yablonovitch E, Kurtz SR (2012) Strong internal and external luminescence as solar cells approach the shockley–queisser limit. IEEE J Photovolt 2:303–31110.1109/JPHOTOV.2012.2198434 ↗
3. Grätzel M (2001) Photoelectrochemical cells. Nature 414:338–34410.1038/35104607 ↗
4. Priolo F, Gregorkiewicz T, Galli M, Krauss TF (2014) Silicon nanostructures for photonics and photovoltaics. Nat Nanotechnol 9:19–3210.1038/nnano.2013.271 ↗
5. Green M A (2009) The path to 25% silicon solar cell efficiency: history of silicon cell evolution. Prog Photovolt 17:183–18910.1002/pip.892 ↗
6. Curtarolo S, Hart GL, Nardelli MB, Mingo N, Sanvito S, Levy O (2013) The high-throughput highway to computational materials design. Nat Mater 12:191–20110.1038/nmat3568 ↗
7. Greenu M, Emery K, Hishikawa Y, Warta W, Dunlop E (2015) Solar cell efficiency tables (version 44). Prog Photovolt 23:805–81210.1002/pip.2637 ↗
8. Singh P, Ravindra NM (2012) Temperature dependence of solar cell performance—an analysis. Sol Energy Mater Sol 101:36–4510.1016/j.solmat.2012.02.019 ↗
9. Wesoff E (2016) Green Tech Media (PV Modules)
10. Peters IM, Buonassisi T (2018) Energy yield limits for single-junction solar cells. Joule 2:1160–117010.1016/j.joule.2018.03.009 ↗
11. Wang R, Mujahid M, Duan Y, Wang Z-K, Xue J, Yang Y (2019) A review of perovskites solar cell stability. Adv Funct Mater 29:180884310.1002/adfm.201808843 ↗
12. Meng L, You J, Yang Y (2018) Addressing the stability issue of perovskite solar cells for commercial applications. Nat Commun 9:526510.1038/s41467-018-07255-1 ↗
13. Lahourcade L, Coronel NC, Delaney KT, Shukla SK, Spaldin NA, Atwater HA (2013) Structural and optoelectronic characterization of RF sputtered ZnSnN2. Adv Mater 25:2562–256610.1002/adma.201204718 ↗
14. Senabulya N, Feldberg N, Makin RA, Yang Y, Shi G, Jones CM, Kioupakis E, Mathis J, Clarke R, Durbin SM (2016) Stabilization of orthorhombic phase in single-crystal ZnSnN2 films. AIP Adv 6:07501910.1063/1.4960109 ↗
15. Feldberg N, Aldous J, Linhart W, Phillips L, Durose K, Stampe P, Kennedy R, Scanlon D, Vardar G, Field R III et al (2013) Growth of ZnSnN2 by molecular beam epitaxy. Appl Phys Lett 103:04210910.1063/1.4816438 ↗
16. Skachkov D, Quayle PC, Kash K, Lambrecht WR (2016) Disorder effects on the band structure of ZnGeN2: role of exchange defects. Phys Rev B 94:20520110.1103/PhysRevB.94.205201 ↗
17. Zakutayev A, Allen AJ, Zhang X, Vidal J, Cui Z, Lany S, Yang M, DiSalvo FJ, Ginley DS (2014) Experimental synthesis and properties of metastable CuNbN2 and theoretical extension to other ternary copper nitrides. Chem Mater 26:4970–497710.1021/cm5018135 ↗
18. Wang C, Chen S, Yang J-H, Lang L, Xiang H-J, Gong X-G, Walsh A, Wei S-H (2014) Design of I2–II–IV–VI4 semiconductors through element substitution: the thermodynamic stability limit and chemical trend. Chem Mater 26:3411–341710.1021/cm500598x ↗
19. Fioretti AN, Zakutayev A, Moutinho H, Melamed C, Perkins JD, Norman AG, Al-Jassim M, Toberer ES, Tamboli AC (2015) Combinatorial insights into doping control and transport properties of zinc tin nitride. J Mater Chem C 3:11017–1102810.1039/C5TC02663F ↗
20. Martinez AD, Warren EL, Gorai P, Borup KA, Kuciauskas D, Dippo PC, Ortiz BR, Macaluso RT, Nguyen SD, Greenaway AL et al (2016) Solar energy conversion properties and defect physics of ZnSiP2. Energy Environ Sci 9:1031–104110.1039/C5EE02884A ↗
21. Narang P, Chen S, Coronel NC, Gul S, Yano J, Wang L-W, Lewis NS, Atwater HA (2014) Bandgap tunability in Zn(Sn,Ge)N2 semiconductor alloys. Adv Mater 26:1235–124110.1002/adma.201304473 ↗
22. Pandey M, Kuhar K, Jacobsen KW (2017) II–IV–V2 and III–III–V2 polytypes as light absorbers for single junction and tandem photovoltaic devices. J Phys Chem C 121:17780–1778610.1021/acs.jpcc.7b07437 ↗
23. Tang F, Zhu T, Oehler F, Fu WY, Griffiths JT, Massabuau FC-P, Kappers MJ, Martin TL, Bagot PA, Moody MP et al (2015) Indium clustering in a-plane InGaN quantum wells as evidenced by atom probe tomography. Appl Phys Lett 106:07210410.1063/1.4909514 ↗
24. Lee JK, Park B, Song K, Jung WY, Tyutyunnikov D, Yang T, Koch CT, Park CG, van Aken PA, Kim Y-M et al (2018) Strain-induced indium clustering in non-polar a-plane InGaN quantum wells. Acta Mater 145:109–12210.1016/j.actamat.2017.11.039 ↗
25. Reyes DF, Gonzalez D, Bastiman F, Dominguez L, Hunter CJ, Guerrero E, Roldan MA, Mayoral A, David JP, Sales DL (2013) Photoluminescence enhancement of InAs (Bi) quantum dots by Bi clustering. Appl Phys Express 6:04210310.7567/APEX.6.042103 ↗
26. Martini S, Quivy A, Lamas T, Da Silva M, Da Silva E, Leite J (2003) Influence of indium segregation on the RHEED oscillations during the growth of InGaAs layers on a GaAs (0 0 1) surface. J Cryst Growth 251:101–10510.1016/S0022-0248(02)02313-8 ↗
27. Barlow AJ, Sano N, Murdoch BJ, Portoles JF, Pigram PJ, Cumpson PJ (2018) Observing the evolution of regular nanostructured indium phosphide after gas cluster ion beam etching. Appl Surf Sci 459:678–68510.1016/j.apsusc.2018.07.195 ↗
28. Mannarino M, Chintala R, Moussa A, Merckling C, Eyben P, Paredis K, Vandervorst W (2015) Surface characterization of InP trenches embedded in oxide using scanning probe microscopy. J Appl Phys 118:22530410.1063/1.4936895 ↗
29. Scanlon D O, Walsh A (2012) Bandgap engineering of ZnSnP2 for high-efficiency solar cells. Appl Phys Lett 100:25191110.1063/1.4730375 ↗
30. Gautam R, Singh P, Sharma S, Kumari S, Verma A (2015) Structural, electronic, optical, elastic and thermal properties of CdGeP2 with the application in solar cell devices. Mater Sci Semicond Process 40:727–73610.1016/j.mssp.2015.07.005 ↗
31. Butler KT, Davies DW, Cartwright H, Isayev O, Walsh A (2018) Machine learning for molecular and materials science. Nature 559:547–55510.1038/s41586-018-0337-2 ↗
32. Sparks TD, Gaultois MW, Oliynyk A, Brgoch J, Meredig B (2016) Data mining our way to the next generation of thermoelectrics. Scr Mater 111:10–1510.1016/j.scriptamat.2015.04.026 ↗
33. Xue D, Xue D, Yuan R, Zhou Y, Balachandran PV, Ding X, Sun J, Lookman T (2017) An informatics approach to transformation temperatures of NiTi-based shape memory alloys. Acta Mater 125:532–54110.1016/j.actamat.2016.12.009 ↗
34. De Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A (2016) A statistical learning framework for materials science: application to elastic moduli of k-nary inorganic polycrystalline compounds. Sci Rep 6:3425610.1038/srep34256 ↗
35. Zheng X, Zheng P, Zhang R-Z (2018) Machine learning material properties from the periodic table using convolutional neural networks. Chem Sci 9:8426–843210.1039/C8SC02648C ↗
36. Pilania G, Wang C, Jiang X, Rajasekaran S, Ramprasad R (2013) Accelerating materials property predictions using machine learning. Sci Rep 3:281010.1038/srep02810 ↗
37. Goodman C (1957) A new group of compounds with diamond type (chalcopyrite) structure. Nature 179:828–82910.1038/179828b0 ↗
38. Jaffe J, Zunger A (1984) Theory of the band-gap anomaly in ABC2 chalcopyrite semiconductors. Phys Rev B 29:1882–190610.1103/PhysRevB.29.1882 ↗
39. Pedregosa F et al (2011) Scikit-learn: machine learning in Python. J Mach Learn Res 12: 2825-2830.
40. Chen T, Guestrin C (2016) In: Proceedings of the 22nd ACM sigkdd international conference on knowledge discovery and data mining. ACM, pp 785–794
41. Kresse G, Furthmüller J (1996) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6:15–5010.1016/0927-0256(96)00008-0 ↗
42. Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169–1118610.1103/PhysRevB.54.11169 ↗
43. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758–177510.1103/PhysRevB.59.1758 ↗
44. Perdew JP, Burke K, Ernzerhof M (1996) Perdew, burke, and ernzerhof reply. Phys. Rev. Lett. 77:3865–386810.1103/PhysRevLett.77.3865 ↗
45. Monkhorst H J, Pack J D (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188–519210.1103/PhysRevB.13.5188 ↗
46. Becke AD, Johnson E R (2006) A simple effective potential for exchange. J Chem Phys 124:22110110.1063/1.2213970 ↗
47. Heyd J, Peralta JE, Scuseria GE, Martin RL (2005) Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. J Chem Phys 123:17410110.1063/1.2085170 ↗
48. Mandia AK, Muralidharan B, Choi J-H, Lee S-C, Bhattacharjee S (2019) arXiv preprint arXiv:1907.08005
49. Huang Y, Yu C, Chen W, Liu Y, Li C, Niu C, Wang F, Jia Y (2019) Band gap and band alignment prediction of nitride-based semiconductors using machine learning. J Mater Chem C 7:3238–324510.1039/C8TC05554H ↗
50. Rajan AC, Mishra A, Satsangi S, Vaish R, Mizuseki H, Lee K-R, Singh AK (2018) Machine-learning-assisted accurate band gap predictions of functionalized MXene. Chem Mater 30:4031–403810.1021/acs.chemmater.8b00686 ↗
51. Olsthoorn B, Geilhufe RM, Borysov SS, Balatsky AV (2019) Band gap prediction for large organic crystal structures with machine learning. Adv. Quantum Technol 2:190002310.1002/qute.201900023 ↗
52. Sotskov V et al (2018) Band gap prediction for inorganic crystals with machine learning. Master thesis
53. Dalven R (1973) Empirical relation between energy gap and lattice constant in cubic semiconductors. Phys Rev B 8:6033–603410.1103/PhysRevB.8.6033 ↗
54. Morales-Garcia A, Valero R, Illas F (2017) An empirical, yet practical way to predict the band gap in solids by using density functional band structure calculations. J Phys Chem C 121:18862–1886610.1021/acs.jpcc.7b07421 ↗
55. Chan M, Ceder G (2010) Efficient band gap prediction for solids. Phys Rev Lett 105:19640310.1103/PhysRevLett.105.196403 ↗
56. Garza A J, Scuseria G E (2016) Predicting band gaps with hybrid density functionals. J Phys Chem Lett 7:4165–417010.1021/acs.jpclett.6b01807 ↗
57. Nguimdo G D, Joubert D P (2015) A density functional (PBE, PBEsol, HSE06) study of the structural, electronic and optical properties of the ternary compounds AgAlX2 (X = S, Se, Te). Eur Phys J B 88:11310.1140/epjb/e2015-50478-x ↗
58. Togo A, Tanaka I (2015) First principles phonon calculations in materials science. Scr Mater 108:1–510.1016/j.scriptamat.2015.07.021 ↗
59. Mouhat F, Coudert F-X (2014) Necessary and sufficient elastic stability conditions in various crystal systems. Phys Rev B 90:22410410.1103/PhysRevB.90.224104 ↗
60. Rode D (1975) Low-field electron transport. In: Semiconductors and semimetals, vol 10. Elsevier, Amsterdam, pp 1–8910.1016/S0080-8784(08)60331-2 ↗
61. Mandia AK, Patnaik R, Muralidharan B, Lee S-C, Bhattacharjee S (2019) Ab initio semi-classical electronic transport in ZnSe: the role of inelastic scattering mechanisms. J Phys Condens Matter 31:34590110.1088/1361-648X/ab229b ↗
62. Faghaninia A, Ager JW III, Lo CS (2015) Ab initio electronic transport model with explicit solution to the linearized Boltzmann transport equation. Phys Rev B 91:23512310.1103/PhysRevB.91.235123 ↗
63. Gunning BP, Moseley MW, Koleske DD, Allerman AA, Lee SR (2017) Phase degradation in BxGa1−xN films grown at low temperature by metalorganic vapor phase epitaxy. J Cryst Growth 464:190–19610.1016/j.jcrysgro.2016.10.054 ↗
64. Williams L, Kioupakis E (2017) BInGaN alloys nearly lattice-matched to GaN for high-power high-efficiency visible LEDs. Appl Phys Lett 111:21110710.1063/1.4997601 ↗
65. Atsumi K, Inoue Y, Mimura H, Aoki T, Nakano T (2014) Neutron detection using boron gallium nitride semiconductor material. APL Mater 2:03210610.1063/1.4868176 ↗
66. Orsal G, Maloufi N, Gautier S, Alnot M, Sirenko AA, Bouchaour M, Ougazzaden A (2008) Effect of boron incorporation on growth behavior of BGaN/GaN by MOVPE. J Cryst Growth 310:5058–506210.1016/j.jcrysgro.2008.08.024 ↗
67. Ougazzaden A, Gautier S, Moudakir T, Djebbour Z, Lochner Z, Choi S, Kim HJ, Ryou J-H, Dupuis RD, Sirenko AA (2008) Bandgap bowing in BGaN thin films. Appl Phys Lett 93:08311810.1063/1.2977588 ↗