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Electronic Study of Fracture in Semiconductors

半导体断裂的电子学研究

基本信息

批准号：
09640399
负责人：
SHIMAMURA Shuji
金额：
$ 0.51万
依托单位：
Yamaguchi University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1998
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09640399/
关键词：
fracture deformation electronic structure

项目摘要

In this project, excitation of electrons and atoms by deformation and fracture in solids has been investigated theoretically as a fundamental study of the mechanism of electron and atom emission caused by fracture in semiconductors.The following studies have been made : (1) the mechanism of fracture- induced electron emission (2) computer simulations of atomic motions during crack extension ; (3) the electronic response to lattice displacement.The results are summarized as follows(1) The number of emitted electrons and the energy distribution of emitted electrons in fractured metals, and the increase of the electrical conductivity in fractured semiconductors have been calculated in terms of thermoelectronic emission. It has been shown that electrons near fracture surfaces are in the excited states corresponding to about 1,000 K.(2) Computer simulations of atomic motions caused by fracture under tensile strain have been carried out using the two- dimensional model system. It has been shown that there is a critical value of tensile strain above which the number of emitted atoms increases rapidly. This result reproduces fractoemission observed in brittle solids such as semiconductors and insulators.(3) The electronic response to lattice displacement in Pd and Ag has been studied by means of electronic structure calculations. It has been shown that lattice displacement increases the electron energy of Pd relative to that of Ag. An electronic origin of hydrogen embrittlement in Pd has been proposed on the basis of the calculated results.

本项目从理论上研究了固体中形变和断裂对电子和原子的激发，作为半导体断裂引起电子和原子发射机制的基础研究，主要研究内容包括：（1）断裂诱导电子发射机制;（2）裂纹扩展过程中原子运动的计算机模拟;（3）电子对晶格位移的响应，主要结果如下：（1）从热电子发射的角度计算了断裂金属中发射电子的数目和能量分布，以及断裂半导体中电导率的增加。已经表明，断裂表面附近的电子处于对应于大约1,000 K的激发态。(2)利用二维模型系统对拉伸应变下断裂引起的原子运动进行了计算机模拟。它已被证明，有一个临界值的拉伸应变超过发射的原子数迅速增加。这一结果再现了在脆性固体如半导体和绝缘体中观察到的断裂发射。(3)本文用电子结构计算方法研究了Pd和Ag中晶格位移的电子响应。它已被证明，晶格位移增加的电子能量的Pd相对于Ag。根据计算结果，提出了钯氢脆的电子起源。