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Piezospectroscopy and ab-initio calculations of carbon-oxygen complexes in gallium arsenide

砷化镓中碳氧复合物的压电光谱和从头计算

基本信息

批准号：
188697224
负责人：
Professor Dr. Hans Christian Alt
金额：
--
依托单位：
Fakultät für Angewandte Naturwissenschaften und Mechatronik
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2011
资助国家：
德国
起止时间：
2010-12-31 至 2013-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/188697224?language=en
关键词：
Piezospectroscopy ab initio calculations carbon

项目摘要

A carbon-oxygen complex (C, O) in gallium arsenide (GaAs) will be investigated by Fourier spectroscopy at low temperatures in the mid infrared. Background is the interest in light-element interactions in GaAs single crystals grown by Czochralski (LEC) or Bridgman (VGF) methods. Carbon and oxygen are introduced either inadvertently or deliberately to adjust to electrical properties. It is the aim to clarify the microscopic defect structure of the (C, O) center. During the previous project piezospectroscopic measurements have been performed successfully up to uniaxial pressure of 0.2 GPa in the [100], [110], and [111] crystallographic directions . The (C,O) center has tetragonal point symmetry. The intensity of the isotope shifted (18O, 12C) absorption band does not correspond to the natural abundance of the 18O isotope. In the present continuation of the project it is suggested to implant the isotopes 16O/18O as well as 12C/13C into pure GaAs substrates and to anneal the samples by rapid thermal annealing to generate the different isotope shift (C, O) absorption bands deliberately. The clarification of the number of oxygen atom involved in the complex is in the focus of the work. Ab-initio calculations are planned in parallel to test the stability and vibrational property of (C, O) centers fulfilling the required symmetry.

本文用傅里叶光谱法在低温下研究了砷化镓（GaAs）中碳氧复合物（C，O）的中红外光谱。背景是对直拉法（LEC）或布里奇曼法（VGF）生长GaAs单晶中轻元素相互作用的研究。碳和氧被无意或有意地引入以调节电性能。目的是阐明（C，O）心的微观缺陷结构。在之前的项目中，已经成功地在[100]，[110]和[111]晶体方向上进行了高达0.2 GPa的单轴压力的压电光谱测量。（C，O）心具有四点对称性。同位素位移（18 O，12 C）吸收带的强度不对应于18 O同位素的天然丰度。在本项目的继续中，建议将同位素16 O/18 O以及12 C/13 C注入到纯GaAs衬底中，并通过快速热退火对样品进行退火，以有意地产生不同的同位素位移（C，O）吸收带。对配合物中氧原子数目的确定是工作的重点。从头计算计划并行测试的稳定性和振动性能的（C，O）中心满足所需的对称性。