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First-principles study on electronic structure and conductivity of Sn-doped Ga1.375In0.625O3
  • ISSN号：1674-4926
  • 期刊名称：《半导体学报：英文版》
  • 时间：0
  • 分类：O561.2[理学—原子与分子物理;理学—物理] TB383[一般工业技术—材料科学与工程]
  • 作者机构：[1]Dean's Office, Ludong University, Yantai 264025, China, [2]School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China
  • 相关基金：Project supported by the National Natural Science Foundation of China（No.10974077）; the Innovation Project of Shandong Graduate Education,China（No.SDYY13093）
作者： 赵银女, 闫金良, 徐诚阳
关键词： 电子有效质量, 高导电性, 结构特性, 锡掺杂, 第一性原理, GA1, 能带结构, 晶格参数, semiconductor doping electric properties optical band gaps Sn-doped Ga1.375In0.625O3
中文摘要：

The structural properties, band structures and densities of states of Sn-doped Ga1:375In0:625O3 with a Sn atom substituting for the Ga atom or a Sn atom substituting for the In atom are calculated by using the firstprinciples method. The substitution of the Sn atom for the Ga atom in Ga1:375In0:625O3(Ga1:25In0:625Sn0:125O3/has larger lattice parameters and stronger Sn–O ionic bonds than that of the substitutional doping of the Sn atom for the In atom in Ga1:375In0:625O3(Ga1:375In0:5Sn0:125O3/. Results show that the Sn atom is preferentially substituted for the In atom in Sn-doped Ga1:375In0:625O3. Sn-doped Ga1:375In0:625O3 exhibits n-type metallic conductivity,and the impurity bands are mainly provided by the Sn 5s states. The optical band gap of Ga1:375In0:5Sn0:125O3is larger than that of Ga1:25In0:625Sn0:125O3. Ga1:25In0:625Sn0:125O3 has a smaller electron effective mass and a slightly larger mobility. However, Ga1:375In0:5Sn0:125O3 has a larger relative electron number and a slightly higher conductivity.

英文摘要：

The structural properties, band structures and densities of states of Sn-doped Ga1.375In0.625O3 with a Sn atom substituting for the Ga atom or a Sn atom substituting for the In atom are calculated by using the firstprinciples method. The substitution of the Sn atom for the Ga atom in Ga1.375In0.625O3（Ga1.25In0.625Sn0.125O3/has larger lattice parameters and stronger Sn–O ionic bonds than that of the substitutional doping of the Sn atom for the In atom in Ga1.375In0.625O3（Ga1.375In0.5Sn0.125O3/. Results show that the Sn atom is preferentially substituted for the In atom in Sn-doped Ga1.375In0.625O3. Sn-doped Ga1.375In0.625O3 exhibits n-type metallic conductivity,and the impurity bands are mainly provided by the Sn 5s states. The optical band gap of Ga1.375In0.5Sn0.125O3is larger than that of Ga1.25In0.625Sn0.125O3. Ga1.25In0.625Sn0.125O3 has a smaller electron effective mass and a slightly larger mobility. However, Ga1.375In0.5Sn0.125O3 has a larger relative electron number and a slightly higher conductivity.

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期刊信息
  • 《半导体学报：英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国电子学会 中国科学院半导体研究所
  • 主编：李树深
  • 地址：北京912信箱
  • 邮编：100083
  • 邮箱：cjs@semi.ac.cn
  • 电话：010-82304277
  • 国际标准刊号：ISSN：1674-4926
  • 国内统一刊号：ISSN：11-5781/TN
  • 邮发代号:2-184
  • 获奖情况:
  • 90年获中科院优秀期刊二等奖,92年获国家科委、中共中央宣传部和国家新闻出版署...,97年国家科委、中共中央中宣传部和国家新出版署三等奖,中国期刊方阵“双效”期刊
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  • 被引量:7754