Rutile GeO2: An ultrawide-band-gap semiconductor with ambipolar doping

Chae, S.; Lee, J.; Mengle, K. A.; Heron, J. T.; Kioupakis, E.

doi:10.1063/1.5088370

Title: Rutile GeO₂: An ultrawide-band-gap semiconductor with ambipolar doping

Journal Article · Wed Mar 13 00:00:00 EDT 2019 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.5088370· OSTI ID:1530438

Chae, S. ^[1]; Lee, J. ^[1]; Mengle, K. A. ^[1]; Heron, J. T. ^[1]; Kioupakis, E. ^[1]

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

Ultra-wide-band-gap (UWBG) semiconductors have tremendous potential to advance electronic devices as device performance improves superlinearly with the increasing gap. Ambipolar doping, however, has been a major challenge for UWBG materials as dopant ionization energy and charge compensation generally increase with the increasing bandgap and significantly limit the semiconductor devices that can currently be realized. Using hybrid density functional theory, we demonstrate rutile germanium oxide (r-GeO₂) to be an alternative UWBG (4.68 eV) material that can be ambipolarly doped. We identify Sb_Ge, As_Ge, and F_O as possible donors with low ionization energies and propose growth conditions to avoid charge compensation by deep acceptors such as V_Ge and N_O. On the other hand, acceptors such as Al_Ge have relatively large ionization energies (0.45 eV) due to the formation of localized hole polarons and are likely to be passivated by V_O, Ge_i, and self-interstitials. Furthermore, we find that the co-incorporation of Al_Ge with interstitial H can increase the solubility limit of Al and enable hole conduction in the impurity band. Our results show that r-GeO₂ is a promising UWBG semiconductor that can overcome current doping challenges and enable the next generation of power electronics devices.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1530438

Journal Information:: Applied Physics Letters, Vol. 114, Issue 10; ISSN 0003-6951

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

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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Quasiparticle band structure and optical properties of rutile GeO$_2$, an ultra-wide-band-gap semiconductor Mengle, Kelsey A.; Chae, Sieun; Kioupakis, Emmanouil arXiv https://doi.org/10.48550/arxiv.1905.10301	text	January 2019

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