Doping of Ga2O3 with transition metals

被引：70
|
作者：
Peelaers, H. [1 ]
Van de Walle, C. G. [1 ]
机构：
[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA
来源：
PHYSICAL REVIEW B | 2016年 / 94卷 / 19期
基金：
美国国家科学基金会;
关键词：
DOPED BETA-GA2O3 LAYERS; ABSORPTION; GROWTH;
D O I：
10.1103/PhysRevB.94.195203
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We explore the viability of using transition-metal impurities as n-type dopants in beta-Ga2O3, focusing on W, Mo, Re, and Nb. Our first-principles calculations show that these impurities can incorporate on both crystallographically inequivalent Ga sites, with the octahedrally coordinated sites being preferred. Mo and Re behave as deep donors. Tungsten on a tetrahedral site is a shallow donor, but unfortunately W on an octahedral site is much lower in energy. Niobium emerges as the best candidate for n-type doping: It has a low formation energy, is a shallow donor on the tetrahedral site, and has only a modest ionization energy (0.15 eV) on the octahedral site.
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页数：4
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