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First-principles calculations of structural, electrical, and optical properties of ultra-wide bandgap (Al\(_x\)Ga\(_{1-x}\))\(_2\)O\(_3\) alloys

  • Invited Feature Paper-Review
  • Focus Issue: Ultra-wide Bandgap Materials, Devices, and Systems
  • Published:
  • volume 36, pages 4790–4803 (2021)
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Abstract

Alloys between Ga2O3 and Al2O3 (AGO) present a rich material space exhibiting numerous structural phases with unique optoelectronic properties that make them attractive candidates as ultra-wide bandgap (UWBG) semiconductors for next-generation power devices. Here we review the properties of AGO, focusing on theoretical results on the thermodynamics of Al incorporation and its consequences on the electronic structure. We review predictions and progress in experimentally realizing these alloys, as well as how composition influences important optoelectronic variables such as the band gap, band offsets, transport properties, and n-type dopability. A number of these parameters, such as the breakdown field (related to the band gap) and electron mobility, are discussed in assessing AGO in terms of relevant power device figures of merit. Overall, the rapid progress and predicted properties highlight the promise of AGO as a model UWBG semiconductor platform with the potential to revolutionize power devices.

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References

  1. A.L. Hickman, R. Chaudhuri, S.J. Bader, K. Nomoto, L. Li, J.C.M. Hwang, H.G. Xing, D. Jena, Semicond. Sci. Technol. 36, 044001 (2021)

    CAS  Google Scholar 

  2. M. Higashiwaki, K. Sasaki, A. Kuramata, T. Masui, S. Yamakoshi, Appl. Phys. Lett. 100, 013504 (2012)

    Google Scholar 

  3. M. Higashiwaki, G.H. Jessen, Appl. Phys. Lett. 112, 060401 (2018)

    Google Scholar 

  4. J. Kim, S.J. Pearton, C. Fares, J. Yang, F. Ren, S. Kim, A.Y. Polyakov, J. Mater. Chem. C 7, 10 (2018)

    Google Scholar 

  5. Z. Galazka, Semicond. Sci. Technol. 33, 113001 (2018)

    Google Scholar 

  6. S.J. Pearton, J. Yang, P.H. Cary, F. Ren, J. Kim, M.J. Tadjer, M.A. Mastro, Appl. Phys. Rev. 5, 011301 (2018)

    Google Scholar 

  7. E. Ahmadi, Y. Oshima, J. Appl. Phys. 126, 160901 (2019)

    Google Scholar 

  8. D. Guo, Q. Guo, Z. Chen, Z. Wu, P. Li, W. Tang, Mater. Today Phys. 11, 100157 (2019)

    Google Scholar 

  9. R. Singh, T. Lenka, D. Panda, R. Velpula, B. Jain, H. Bui, H. Nguyen, Mater. Sci. Semicond. Process. 119, 105216 (2020)

    CAS  Google Scholar 

  10. M.H. Wong, M. Higashiwaki, IEEE Trans. Electron. Devices 67, 3925 (2020)

    CAS  Google Scholar 

  11. D. Kaur, M. Kumar, Adv. Opt. Mater. (2021). https://doi.org/10.1002/adom.202002160

    Article  Google Scholar 

  12. H. Zhang, L. Yuan, X. Tang, J. Hu, J. Sun, Y. Zhang, Y. Zhang, R. Jia, IEEE Trans. Power Electron. 35, 5157 (2019)

    Google Scholar 

  13. Y. Zhang, J.S. Speck, Semicond. Sci. Technol. 35, 125018 (2020)

    CAS  Google Scholar 

  14. A.J. Green, K.D. Chabak, M. Baldini, N. Moser, R. Gilbert, R.C. Fitch, G. Wagner, Z. Galazka, J. Mccandless, A. Crespo, K. Leedy, G.H. Jessen, IEEE Electron Device Lett. 38, 790 (2017)

    CAS  Google Scholar 

  15. C. Kim, G. Pilania, R. Ramprasad, Chem. Mater. 28, 1304 (2016)

    CAS  Google Scholar 

  16. J.E.N. Swallow, C. Vorwerk, P. Mazzolini, P. Vogt, O. Bierwagen, A. Karg, M. Eickhoff, J. Schormann, M.R. Wagner, J.W. Roberts, P.R. Chalker, M.J. Smiles, P.A.E. Murgatroyd, S.A. Razek, Z.W. Lebens-Higgins, L.F.J. Piper, L.A.H. Jones, P.K. Thakur, T.-L. Lee, J.B. Varley, J. Furthmuller, C. Draxl, T.D. Veal, A. Regoutz, Chem. Mater. 32, 8460 (2020)

    CAS  Google Scholar 

  17. K. Momma, F. Izumi, J. Appl. Crystallogr. 44, 1272–1276 (2011)

    CAS  Google Scholar 

  18. A. Hassa, M. Grundmann, H.V. Wenckstern, J. Phys. D: Appl. Phys. (2020). https://doi.org/10.1088/1361-6463/abd4a4

    Article  Google Scholar 

  19. Z. Li, Y. Wu, B. Feng, Y. Li, T. Liu, J. Feng, X. Chen, R. Huang, L. Xu, Z. Li, N. Hu, F. Li, Z. Jia, G. Niu, Q. Guo, G. He, and S. Ding, Phys. Status Solidi A 2000785 ( 2021)

  20. B. Baliga, IEEE Electron Device Lett. 10, 455 (1989)

    Google Scholar 

  21. J.B. Varley, A. Perron, V. Lordi, D. Wickramaratne, J.L. Lyons, Appl. Phys. Lett. 116, 172104 (2020)

    Google Scholar 

  22. H. Peelaers, J.B. Varley, J.S. Speck, C.G. Van de Walle, Appl. Phys. Lett. 112, 242101 (2018)

    Google Scholar 

  23. P. Ranga, A. Rishinaramangalam, J. Varley, A. Bhattacharyya, D. Feezell, S. Krishnamoorthy, Appl. Phys. Express 12, 111004 (2019)

    CAS  Google Scholar 

  24. K.A. Mengle, E. Kioupakis, AIP Adv. 9, 015313 (2019)

    Google Scholar 

  25. S. Ponce, F. Giustino, Phys. Rev. Res. 2, 033102 (2020)

    CAS  Google Scholar 

  26. J. Fu, T. Song, X. Liang, G. Zhao, Results Phys. 14, 102505 (2019)

    Google Scholar 

  27. Y. Kamakura, T. Kotani, K. Konaga, N. Minamitani, G. Wakimura, and N. Mori, In: Proceedings of the 2015 IEEE International Electron Devices Meeting (IEDM) , 1 ( 2015)

  28. S.B. Reese, T. Remo, J. Green, A. Zakutayev, Joule 3, 903 (2019)

    Google Scholar 

  29. T.E. Graedel, E.M. Harper, N.T. Nassar, P. Nuss, B.K. Reck, Proc. Natl. Acad. Sci. 112, 4257 (2015)

    CAS  Google Scholar 

  30. R. Jinno, C.S. Chang, T. Onuma, Y. Cho, S.-T. Ho, D. Rowe, M.C. Cao, K. Lee, V. Protasenko, D.G. Schlom, D.A. Muller, H.G. Xing, D. Jena, Sci. Adv. (2021). https://doi.org/10.1126/sciadv.abd5891

    Article  Google Scholar 

  31. K. Ghosh, U. Singisetti, J. Mater. Res. 32, 4142 (2017)

    CAS  Google Scholar 

  32. S. Krishnamoorthy, Z. Xia, C. Joishi, Y. Zhang, J. McGlone, J. Johnson, M. Brenner, A.R. Arehart, J. Hwang, S. Lodha, S. Rajan, Appl. Phys. Lett. 111, 023502 (2017)

    Google Scholar 

  33. Y. Zhang, A. Neal, Z. Xia, C. Joishi, J.M. Johnson, Y. Zheng, S. Bajaj, M. Brenner, D. Dorsey, K. Chabak, G. Jessen, J. Hwang, S. Mou, J.P. Heremans, S. Rajan, Appl. Phys. Lett. 112, 173502 (2018)

    Google Scholar 

  34. E. Ahmadi, O.S. Koksaldi, X. Zheng, T. Mates, Y. Oshima, U.K. Mishra, J.S. Speck, Appl. Phys. Express 10, 071101 (2017)

    Google Scholar 

  35. T. Oshima, Y. Kato, N. Kawano, A. Kuramata, S. Yamakoshi, S. Fujita, T. Oishi, M. Kasu, Appl. Phys. Express 10, 035701 (2017)

    Google Scholar 

  36. A.F.M.A.U. Bhuiyan, Z. Feng, J.M. Johnson, Z. Chen, H.-L. Huang, J. Hwang, H. Zhao, Appl. Phys. Lett. 115, 120602 (2019)

    Google Scholar 

  37. A. Bhattacharyya, A. Chmielewski, S. Roy, R. Sun, M.A. Scarpulla, N. Alem, S. Krishnamoorthy, Appl. Express Phys. (2020). https://doi.org/10.35848/1882-0786/abd675

    Article  Google Scholar 

  38. S. Mu, H. Peelaers, Y. Zhang, M. Wang, C.G. Van de Walle, Appl. Phys. Lett. 117, 252104 (2020)

    CAS  Google Scholar 

  39. H. Kim, H. Ko, Y.-C. Chung, S.B. Cho, J. Eur. Ceram. Soc. (2020). https://doi.org/10.1016/j.jeurceramsoc.2020.08.067

    Article  Google Scholar 

  40. T. Oshima, T. Okuno, N. Arai, Y. Kobayashi, S. Fujita, Jap. J. Appl. Phys. 48, 070202 (2009)

    Google Scholar 

  41. S.W. Kaun, F. Wu, J.S. Speck, J. Vac. Sci. Technol. A 33, 041508 (2015)

    Google Scholar 

  42. H. Ito, K. Kaneko, S. Fujita, Jap. J. Appl. Phys. 51, 100207 (2012)

    Google Scholar 

  43. V.G. Hill, R. Roy, E.F. Osborn, J. Am. Ceram. Soc. 35, 135 (1952)

    CAS  Google Scholar 

  44. T. Wang, W. Li, C. Ni, A. Janotti, Phys. Rev. Appl. 10, 011003 (2018)

    CAS  Google Scholar 

  45. A. Ratnaparkhe, W.R.L. Lambrecht, Phys. Status Solidi B 257, 1900317 (2020)

    CAS  Google Scholar 

  46. R.E. Newnham, Y.M. Haan, Zeitschrift fur Kristallographie 117, 235 (1962)

    CAS  Google Scholar 

  47. R.H. French, J. Am. Ceram. Soc. 73, 477 (1990)

    CAS  Google Scholar 

  48. T. Uchida, R. Jinno, S. Takemoto, K. Kaneko, S. Fujita, Jap. J. Appl. Phys. 57, 040314 (2018)

    Google Scholar 

  49. G.T. Dang, T. Yasuoka, Y. Tagashira, T. Tadokoro, W. Theiss, T. Kawaharamura, Appl. Phys. Lett. 113, 062102 (2018)

    Google Scholar 

  50. M. Marezio, J.P. Remeika, J. Chem. Phys. 46, 1862 (1967)

    CAS  Google Scholar 

  51. Y. Ota, AIP Adv. 10, 125321 (2020)

    CAS  Google Scholar 

  52. E. Husson, Y. Repelin, Eur. J. Solid State Inorg. Chem. 33, 1223 (1996)

    CAS  Google Scholar 

  53. R. Wakabayashi, K. Yoshimatsu, M. Hattori, J.-S. Lee, O. Sakata, A. Ohtomo, Cryst. Growth Des. (2021). https://doi.org/10.1021/acs.cgd.1c00030

    Article  Google Scholar 

  54. J. Åhman, G. Svensson, and J. Albertsson, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 52, 1336 (1996)

  55. T. Matsumoto, M. Aoki, A. Kinoshita, T. Aono, Jap. J. Appl. Phys. 13, 1578 (2014)

    Google Scholar 

  56. T. Onuma, S. Saito, K. Sasaki, T. Masui, T. Yamaguchi, T. Honda, M. Higashiwaki, Jap. J. Appl. Phys. 54, 112601 (2015)

    Google Scholar 

  57. S. Seacat, J.L. Lyons, H. Peelaers, Appl. Phys. Lett. 116, 232102 (2020)

    CAS  Google Scholar 

  58. B. Ollivier, R. Retoux, P. Lacorre, D. Massiot, G. Ferey, J. Mater. Chem. 7, 1049 (1997)

    CAS  Google Scholar 

  59. M. Halvarsson, V. Langer, S. Vuorinen, Surf. Coat. Technol. 76, 358 (1995)

    Google Scholar 

  60. M. Kneiß, A. Hassa, D. Splith, C. Sturm, H. von Wenckstern, T. Schultz, N. Koch, M. Lorenz, M. Grundmann, APL Mater. 7, 022516 (2019)

    Google Scholar 

  61. I. Cora, F. Mezzadri, F. Boschi, M. Bosi, M. Caplovicova, G. Calestani, I. Dódony, B. Pecz, R. Fornari, CrystEngComm 19, 1509 (2017)

    CAS  Google Scholar 

  62. R.-S. Zhou, R. Snyder, Acta Crystallogr. Sect. B: Struct. Sci. 47, 617 (1991)

    Google Scholar 

  63. T. Oshima, Y. Kato, M. Oda, T. Hitora, M. Kasu, Appl. Phys. Express 10, 051104 (2017)

    Google Scholar 

  64. H.Y. Playford, A.C. Hannon, M.G. Tucker, D.M. Dawson, S.E. Ashbrook, R.J. Kastiban, J. Sloan, R.I. Walton, J. Phys. Chem. C 118, 16188 (2014)

    CAS  Google Scholar 

  65. M. Bosi, P. Mazzolini, L. Seravalli, R. Fornari, J. Mater. Chem. C 8, 10975 (2020)

    CAS  Google Scholar 

  66. R. Roy, V. G. Hill., and E. F. Osborn, J. Am. Chem. Soc. 74, 719 (1952)

  67. S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga, I. Tanaka, J. Phys.: Condens. Matter 19, 346211 (2007)

    Google Scholar 

  68. H. Akazawa, Vacuum 123, 8 (2016)

    CAS  Google Scholar 

  69. H.Y. Playford, A.C. Hannon, E.R. Barney, R.I. Walton, Chem. Eur. J. 19, 2803 (2013)

    CAS  Google Scholar 

  70. M. Zinkevich, F. Aldinger, J. Am. Ceram. Soc. 87, 683 (2004)

    CAS  Google Scholar 

  71. C. Wouters, C. Sutton, L. M. Ghiringhelli, T. Markurt, R. Schewski, A. Hassa, H. v. Wenckstern, M. Grundmann, M. Scheffler, and M. Albrecht, Phys. Rev. Mater. 4, 125001 (2020), arxiv: 2008.04573

  72. H. Peelaers, D. Steiauf, J.B. Varley, A. Janotti, C.G. Van de Walle, Phys. Rev. B 92, 085206 (2015)

    Google Scholar 

  73. J.E.N. Swallow, R.G. Palgrave, P.A.E. Murgatroyd, A. Regoutz, M. Lorenz, A. Hassa, M. Grundmann, H.V. Wenckstern, J.B. Varley, T.D. Veal, A.C.S. Appl, Mater. Interfaces (2021). https://doi.org/10.1021/acsami.0c16021

    Article  Google Scholar 

  74. M. Hilfiker, U. Kilic, A. Mock, V. Darakchieva, S. Knight, R. Korlacki, A. Mauze, Y. Zhang, J. Speck, M. Schubert, Appl. Phys. Lett. 114, 231901 (2019)

    Google Scholar 

  75. B. Mazumder, J. Sarker, Y. Zhang, J.M. Johnson, M. Zhu, S. Rajan, J. Hwang, Appl. Phys. Lett. 115, 132105 (2019)

    Google Scholar 

  76. M. Wang, S. Mu, C.G. Van de Walle, A.C.S. Appl, Mater. Interfaces 13, 10650 (2021)

    CAS  Google Scholar 

  77. A.F.M.A.U. Bhuiyan, Z. Feng, J.M. Johnson, H.-L. Huang, J. Hwang, H. Zhao, Cryst. Growth Des. 20, 6722 (2020)

    Google Scholar 

  78. J.M. Johnson, H. Huang, M. Wang, S. Mu, J.B. Varley, A. Bhuiyan, N.K. Kalarickal, S. Rajan, H. Zhao, C.G. Van de Walle, J. Hwang, APL Mater. 9, 051103 (2021)

    CAS  Google Scholar 

  79. B.W. Krueger, C.S. Dandeneau, E.M. Nelson, S.T. Dunham, F.S. Ohuchi, M.A. Olmstead, J. Am. Ceram. Soc. 99, 2467 (2016)

    CAS  Google Scholar 

  80. A.F.M.A.U. Bhuiyan, Z. Feng, J.M. Johnson, H.-L. Huang, J. Sarker, M. Zhu, M.R. Karim, B. Mazumder, J. Hwang, H. Zhao, APL Mater. 8, 031104 (2020)

    Google Scholar 

  81. B. Mazumder, J. Sarker, J. Mater. Res. 36, 52 (2021)

    CAS  Google Scholar 

  82. S. Mu, M. Wang, H. Peelaers, C.G. Van de Walle, APL Mater. 8, 091105 (2020)

    CAS  Google Scholar 

  83. R. Jinno, K. Kaneko, S. Fujita, Jap. J. Appl. Phys. 60, SBBD13 (2021)

    CAS  Google Scholar 

  84. J. Furthmuller, F. Bechstedt, Phys. Rev. B 93, 115204 (2016)

    Google Scholar 

  85. N.K. Kalarickal, Z. Xia, J.F. McGlone, Y. Liu, W. Moore, A.R. Arehart, S.A. Ringel, S. Rajan, J. Appl. Phys. 127, 215706 (2020)

    CAS  Google Scholar 

  86. B. Chatterjee, Y. Song, J.S. Lundh, Y. Zhang, Z. Xia, Z. Islam, J. Leach, C. McGray, P. Ranga, S. Krishnamoorthy, A. Haque, S. Rajan, S. Choi, Appl. Phys. Lett. 117, 153501 (2020)

    CAS  Google Scholar 

  87. C. Yuan, Y. Zhang, R. Montgomery, S. Kim, J. Shi, A. Mauze, T. Itoh, J.S. Speck, S. Graham, J. Appl. Phys. 127, 154502 (2020)

    CAS  Google Scholar 

  88. F. Zhang, K. Saito, T. Tanaka, M. Nishio, M. Arita, Q. Guo, Appl. Phys. Lett. 105, 162107 (2014)

    Google Scholar 

  89. Y. Hinuma, T. Gake, F. Oba, Phys. Rev. Mater. 3, 084605 (2019)

    CAS  Google Scholar 

  90. T. Schultz, M. Kneiß, P. Storm, D. Splith, H. von Wenckstern, M. Grundmann, N. Koch, A.C.S. Appl, Mater. Interfaces 12, 8879 (2020)

    CAS  Google Scholar 

  91. A. Vaidya, J. Sarker, Y. Zhang, L. Lubecki, J. Wallace, J.D. Poplawsky, K. Sasaki, A. Kuramata, A. Goyal, J.A. Gardella, B. Mazumder, U. Singisetti, J. Appl. Phys. 126, 095702 (2019)

    Google Scholar 

  92. A.F.M.A.U. Bhuiyan, Z. Feng, J.M. Johnson, H.-L. Huang, J. Hwang, H. Zhao, Appl. Phys. Lett. 117, 252105 (2020)

    CAS  Google Scholar 

  93. R. Wakabayashi, M. Hattori, K. Yoshimatsu, K. Horiba, H. Kumigashira, A. Ohtomo, Appl. Phys. Lett. 112, 232103 (2018)

    Google Scholar 

  94. C. Fares, F. Ren, E. Lambers, D.C. Hays, B.P. Gila, S.J. Pearton, J. Electron. Mater. 48, 1568 (2019)

    CAS  Google Scholar 

  95. C. Fares, M. Kneiss, H. von Wenckstern, M. Grundmann, M.J. Tadjer, F. Ren, D. Hays, B.P. Gila, S.J. Pearton, ECS Trans. 92, 79 (2019)

    CAS  Google Scholar 

  96. C. Fares, Z. Islam, A. Haque, M. Kneiß, H. von Wenckstern, M. Grundmann, M. Tadjer, F. Ren, S.J. Pearton, ECS J. Solid State Sci. Technol. 8, P751 (2019)

    CAS  Google Scholar 

  97. T. Kamimura, Y. Nakata, M. Higashiwaki, Jap. J. Appl. (2021). https://doi.org/10.35848/1347-4065/abe3a4

    Article  Google Scholar 

  98. G.I. Csonka, J.P. Perdew, A. Ruzsinszky, P.H.T. Philipsen, S. Lebègue, J. Paier, O.A. Vydrov, J.G. AngyAn, Phys. Rev. B 79, 155107 (2009)

    Google Scholar 

  99. X. Gonze, Phys. Rev. B 55, 10355 (1997)

    CAS  Google Scholar 

  100. G. Kresse, Phys. Rev. B 54, 11169 (1996)

    CAS  Google Scholar 

  101. G. Kresse, J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996)

    CAS  Google Scholar 

  102. A. Fiedler, R. Schewski, Z. Galazka, K. Irmscher, ECS J. Solid State Sci. Technol. 8, Q3083 (2019)

    CAS  Google Scholar 

  103. A. Kumar, K. Ghosh, U. Singisetti, J. Appl. Phys. 128, 105703 (2020)

    CAS  Google Scholar 

  104. G. Seryogin, F. Alema, N. Valente, H. Fu, E. Steinbrunner, A.T. Neal, S. Mou, A. Fine, A. Osinsky, Appl. Phys. Lett. 117, 262101 (2020)

    CAS  Google Scholar 

  105. F. Alema, Y. Zhang, A. Osinsky, N. Orishchin, N. Valente, A. Mauze, J.S. Speck, APL Mater. 8, 021110 (2020)

    CAS  Google Scholar 

  106. Z. Feng, A.F.M.A.U. Bhuiyan, M.R. Karim, H. Zhao, Appl. Phys. Lett. 114, 250601 (2019)

    Google Scholar 

  107. Y. Zhang, F. Alema, A. Mauze, O.S. Koksaldi, R. Miller, A. Osinsky, J.S. Speck, APL Mater. 7, 022506 (2019)

    Google Scholar 

  108. N. Ma, N. Tanen, A. Verma, Z. Guo, T. Luo, H.G. Xing, D. Jena, Appl. Phys. Lett. 109, 212101 (2016)

    Google Scholar 

  109. K. Ghosh, U. Singisetti, Appl. Phys. Lett. 109, 072102 (2016)

    Google Scholar 

  110. K. Ghosh, U. Singisetti, J. Appl. Phys. 124, 085707 (2018)

    Google Scholar 

  111. A. Parisini, K. Ghosh, U. Singisetti, R. Fornari, Semicond. Sci. Technol. 33, 105008 (2018)

    Google Scholar 

  112. Y. Kang, K. Krishnaswamy, H. Peelaers, C.G. Van de Walle, J. Phys.: Condens. Matter 29, 234001 (2017)

    Google Scholar 

  113. A. Sharma, U. Singisetti, Appl. Phys. Lett. 118, 032101 (2021)

    CAS  Google Scholar 

  114. Z. Feng, A.F.M.A.U. Bhuiyan, Z. Xia, W. Moore, Z. Chen, J.F. McGlone, D.R. Daughton, A.R. Arehart, S.A. Ringel, S. Rajan, H. Zhao, Phys. Status Solidi RRL 14, 2000145 (2020)

    CAS  Google Scholar 

  115. J.B. Varley, A. Janotti, C. Franchini, C.G. Van de Walle, Phys. Rev. B 85, 081109 (2012)

    Google Scholar 

  116. H. Peelaers, J.L. Lyons, J.B. Varley, C.G. Van de Walle, APL Mater. 7, 2519 (2019)

    Google Scholar 

  117. M. Mohamed, C. Janowitz, I. Unger, R. Manzke, Z. Galazka, R. Uecker, R. Fornari, J.R. Weber, J.B. Varley, C.G. Van de Walle, Appl. Phys. Lett. 97, 211903 (2010)

    Google Scholar 

  118. H. Peelaers, C.G. Van de Walle, Appl. Phys. Lett. 111, 182104 (2017)

    Google Scholar 

  119. Z. Cheng, N. Tanen, C. Chang, J. Shi, J. McCandless, D. Muller, D. Jena, H.G. Xing, S. Graham, Appl. Phys. Lett. 115, 092105 (2019)

    Google Scholar 

  120. Y. Song, P. Ranga, Y. Zhang, Z. Feng, H.-L. Huang, M.D. Santia, S.C. Badescu, C.U. Gonzalez-Valle, C. Perez, K. Ferri et al., ACS Appl. Mater. Interfaces (2021). https://doi.org/10.1021/acsami.1c08506

    Article  Google Scholar 

  121. Y.-B. Liu, J.-Y. Yang, G.-M. Xin, L.-H. Liu, G. Csányi, B.-Y. Cao, J. Chem. Phys. 153, 144501 (2020)

    Google Scholar 

  122. Z. Cheng, V.D. Wheeler, T. Bai, J. Shi, M.J. Tadjer, T. Feygelson, K.D. Hobart, M.S. Goorsky, S. Graham, Appl. Phys. Lett. 116, 062105 (2020)

    CAS  Google Scholar 

  123. J.S. Harris, J.N. Baker, B.E. Gaddy, I. Bryan, Z. Bryan, K.J. Mirrielees, P. Reddy, R. Collazo, Z. Sitar, D.L. Irving, Appl. Phys. Lett. 112, 152101 (2018)

    Google Scholar 

  124. L. Gordon, J.B. Varley, J.L. Lyons, A. Janotti, C.G. Van de Walle, Phys. Status Solidi RRL 9, 462 (2015)

    CAS  Google Scholar 

  125. J.B. Varley, J.R. Weber, A. Janotti, C.G. Van de Walle, Appl. Phys. Lett. 97, 142106 (2010)

    Google Scholar 

  126. M. Saleh, J.B. Varley, J. Jesenovec, A. Bhattacharyya, S. Krishnamoorthy, S. Swain, K. Lynn, Semicond. Sci. Technol. 35, 04LT01 (2020)

    CAS  Google Scholar 

  127. M. Saleh, A. Bhattacharyya, J.B. Varley, S. Swain, J. Jesenovec, S. Krishnamoorthy, K. Lynn, Appl. Phys. Express 12, 085502 (2019)

    CAS  Google Scholar 

  128. J. Sarker, A.F.M.A.U. Bhuiyan, Z. Feng, H. Zhao, B. Mazumder, J. Phys. D Appl. Phys. 54, 184001 (2021)

    CAS  Google Scholar 

  129. G.T. Dang, Y. Tagashira, T. Yasuoka, L. Liu, T. Kawaharamura, AIP Adv. 10, 115019 (2020)

    CAS  Google Scholar 

  130. J.B. Varley, H. Peelaers, A. Janotti, C.G. Van de Walle, J. Phys.: Condens. Matter 23, 334212 (2011)

    CAS  Google Scholar 

  131. J.M. Johnson, Z. Chen, J.B. Varley, C.M. Jackson, E. Farzana, Z. Zhang, A.R. Arehart, H.-L. Huang, A. Genc, S.A. Ringel, C.G. Van de Walle, D.A. Muller, J. Hwang, Phys. Rev. X 9, 041027 (2019)

    CAS  Google Scholar 

  132. Y.K. Frodason, C. Zimmermann, E.F. Verhoeven, P.M. Weiser, L. Vines, J.B. Varley, Phys. Rev. Mater. 5, 025402 (2021)

    CAS  Google Scholar 

  133. A. Karjalainen, I. Makkonen, J. Etula, K. Goto, H. Murakami, Y. Kumagai, F. Tuomisto, Appl. Phys. Lett. 118, 072104 (2021)

    CAS  Google Scholar 

  134. P.E. Blöchl, Phys. Rev. B 50, 17953 (1994)

    Google Scholar 

  135. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1998)

    Google Scholar 

Download references

Acknowledgments

This work was partially performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344, and supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. DOE, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. Collaborations and discussions with A. Perron, V. Lordi, J. L. Lyons, D. Wickramaratne, H. Peelaers, A. Janotti, K. Lynn, J. McCloy, J. Hwang, S. Krishnamoorthy, J. S. Speck, and C. G. Van de Walle are gratefully acknowledged.

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    Joel B. Varley

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Varley, J.B. First-principles calculations of structural, electrical, and optical properties of ultra-wide bandgap (Al\(_x\)Ga\(_{1-x}\))\(_2\)O\(_3\) alloys. Journal of Materials Research 36, 4790–4803 (2021). https://doi.org/10.1557/s43578-021-00371-7

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