Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2

Chae, Sieun; Mengle, Kelsey; Bushick, Kyle; Lee, Jihang; Sanders, Nocona; Deng, Zihao; Mi, Zetian; Poudeu, Pierre F. P.; Paik, Hanjong; Heron, John T.; Kioupakis, Emmanouil

doi:10.1063/5.0056674

Title: Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO₂

Journal Article · Thu Jul 01 00:00:00 EDT 2021 · Applied Physics Letters

DOI:https://doi.org/10.1063/5.0056674· OSTI ID:1853466

Chae, Sieun ^[1]; Mengle, Kelsey ^[1]; Bushick, Kyle ^[1]; Lee, Jihang ^[1]; Sanders, Nocona ^[1]; Deng, Zihao ^[1]; Mi, Zetian ^[1]; Poudeu, Pierre F. P. ^[1]; Paik, Hanjong ^[2]; Heron, John T. ^[1]; Kioupakis, Emmanouil ^[1]

Univ. of Michigan, Ann Arbor, MI (United States)
Cornell Univ., Ithaca, NY (United States)

Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy loss. Yet, the leading UWBG semiconductors suffer from intrinsic materials' limitations with regard to their doping asymmetry that impedes their adoption in CMOS technology. Improvements in the ambipolar doping of UWBG materials will enable a wider range of applications in power electronics as well as deep-UV optoelectronics. These advances can be accomplished through theoretical insights on the limitations of current UWBG materials coupled with the computational prediction and experimental demonstration of alternative UWBG semiconductor materials with improved doping and transport properties. As an example, we discuss the case of rutile GeO2 (r-GeO₂), a water-insoluble GeO₂ polytype, which is theoretically predicted to combine an ultra-wide gap with ambipolar dopability, high carrier mobilities, and a higher thermal conductivity than β-Ga₂O₃. The subsequent realization of single-crystalline r-GeO₂ thin films by molecular beam epitaxy provides the opportunity to realize r-GeO₂ for electronic applications. Future efforts toward the predictive discovery and design of new UWBG semiconductors include advances in first-principles theory and high-performance computing software, as well as the demonstration of controlled doping in high-quality thin films with lower dislocation densities and optimized film properties.

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Research Organization:: Univ. of Texas, Austin, TX (United States); Krell Institute, Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0020129; SC0020347; SC0018941; DMR-1810119; 1534221; DMR-1539918; DMR-1847847

OSTI ID:: 1853466

Alternate ID(s):: OSTI ID: 1804971

Journal Information:: Applied Physics Letters, Vol. 118, Issue 26; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2

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Title: Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO₂