Energetics and electronic structure of native point defects in α-Ga2O3
Energetics and electronic structure of native point defects in α-Ga2O3
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DOI：
10.7567/1882-0786/ab3763
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发表时间：
2019-09-01
影响因子：
2.3
通讯作者：
Matsushita, Yu-ichiro
中科院分区：
文献类型：
--
作者：
Kobayashi, Takuma;Gake, Tomoya;Matsushita, Yu-ichiro
我们报告的第一性原理计算，澄清的形成能量和电荷跃迁水平的原生点缺陷（Ga和O的空缺，晶体，和Ga空位-O空位对）在crosslinked结构的α-Ga 2 O 3。无论是在富Ga还是富O生长条件下，当费米能级分别接近导带和价带边缘时，负电荷Ga空位和正电荷Ga间隙分别占主导地位。这些缺陷将分别补偿载流子电子和空穴。富Ga条件相对抑制Ga空位的形成，因此适合于α-Ga 2 O 3的非本征n型掺杂。(C)2019日本应用物理学会
We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacancy-O vacancy pair) in corundum structured alpha-Ga2O3. Either under a Ga- or O-rich growth condition, the negativelycharged Ga vacancy and the positively-charged Ga interstitial on a site surrounded by six O atoms are dominant when the Fermi level approaches the conduction and valence band edges, respectively. These defects would compensate carrier electrons and holes, respectively. Ga-rich conditions relatively suppress the formation of the Ga vacancy and, therefore, are suited for extrinsic n-type doping of alpha-Ga2O3. (C) 2019 The Japan Society of Applied Physics