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

Abstract

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-qualitymore » thin films with lower dislocation densities and optimized film properties.« less

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [2];  [1];  [1]
+ Show Author Affiliations
  1. Univ. of Michigan, Ann Arbor, MI (United States)
  2. Cornell Univ., Ithaca, NY (United States)
Publication Date:
Research Org.:
Univ. of Texas, Austin, TX (United States); Krell Institute, Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1853466
Alternate Identifier(s):
OSTI ID: 1804971
Grant/Contract Number:  
SC0020129; SC0020347; SC0018941; DMR-1810119; 1534221; DMR-1539918; DMR-1847847
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 118; Journal Issue: 26; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Physics; Thin films; Doping; First-principle calculations; Electronic transport; Power electronics; Semiconductors; Oxides; Epitaxy; Thermal conductivity

Citation Formats

Chae, Sieun, Mengle, Kelsey, Bushick, Kyle, Lee, Jihang, Sanders, Nocona, Deng, Zihao, Mi, Zetian, Poudeu, Pierre F. P., Paik, Hanjong, Heron, John T., and Kioupakis, Emmanouil. Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2. United States: N. p., 2021. Web. doi:10.1063/5.0056674.
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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. Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2. United States. https://doi.org/10.1063/5.0056674
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Chae, Sieun, Mengle, Kelsey, Bushick, Kyle, Lee, Jihang, Sanders, Nocona, Deng, Zihao, Mi, Zetian, Poudeu, Pierre F. P., Paik, Hanjong, Heron, John T., and Kioupakis, Emmanouil. Thu . "Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2". United States. https://doi.org/10.1063/5.0056674. https://www.osti.gov/servlets/purl/1853466.
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@article{osti_1853466,
title = {Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO2},
author = {Chae, Sieun and Mengle, Kelsey and Bushick, Kyle and Lee, Jihang and Sanders, Nocona and Deng, Zihao and Mi, Zetian and Poudeu, Pierre F. P. and Paik, Hanjong and Heron, John T. and Kioupakis, Emmanouil},
abstractNote = {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.},
doi = {10.1063/5.0056674},
journal = {Applied Physics Letters},
number = 26,
volume = 118,
place = {United States},
year = {Thu Jul 01 00:00:00 EDT 2021},
month = {Thu Jul 01 00:00:00 EDT 2021}
}
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