QUANTUM-CHEMICAL CALCULATION OF THE ENERGY CHARACTERISTICS OF BORON-DOPED ?-GA2O3

Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI:10.29003/m3093.mmmsec-2022/138-140

E. Okulich, V. Okulich, D. Tetelbaum

引用次数: 0

Abstract

The paper presents the results of calculations by the DFT method of the energy characteristics of possible configurations of the boron atom embedded in Ga2O3 using ion implantation. The results for different types of interstitials are obtained, and the energy barriers of diffusion B along interstitial channels are estimated.

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掺硼γ -ga2o3能量特性的量子化学计算

本文用DFT方法计算了离子注入在Ga2O3中嵌入的硼原子可能构型的能量特征。得到了不同类型间隙的结果，并估计了扩散B沿间隙通道的能垒。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Mathematical modeling in materials science of electronic component

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