A multiscale study of misfit dislocations in PbTe/PbSe(001) heteroepitaxy

被引：11

作者：

Li, Yang ^{[1
]}

Fan, Zhaochuan ^{[2
]}

Li, Weixuan ^{[1
]}

McDowell, David L. ^{[3
,4
]}

Chen, Youping ^{[1
]}

机构：

[1] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL 32611 USA

[2] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA

[3] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA

[4] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

来源：

JOURNAL OF MATERIALS RESEARCH | 2019年 / 34卷 / 13期

基金：

美国国家科学基金会;

关键词：

epitaxy; dislocations; simulation; MOLECULAR-DYNAMICS; EPITAXIAL-GROWTH; CU; RELAXATION; DEPOSITION; SIMULATIONS; NUCLEATION; DEFECTS; PBTE; NI;

D O I：

10.1557/jmr.2019.69

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this work, we investigate misfit dislocations in PbTe/PbSe heteroepitaxial systems using the concurrent atomistic-continuum (CAC) method. A potential model containing the long-range Coulombic interaction and short-range Buckingham potential is developed for the system. By considering the minimum potential energy of relaxed interface structures for various initial conditions and PbTe layer thicknesses, the equilibrium structure of misfit dislocations and the dislocation spacings in PbTe/PbSe(001) heteroepitaxial thin films are obtained as a function of the PbTe layer thicknesses grown on a PbSe substrate. The critical layer thickness above which misfit dislocations inevitably form, the structure of the misfit dislocations at the interfaces, and the dependence of average dislocation spacing on PbTe layer thickness are obtained and discussed. The simulation results provide an explanation for the narrowing of the spread of the distribution of misfit dislocation spacing as layer thickness increases in PbTe/PbSe(001) heteroepitaxy.

引用

页码：2306 / 2314

页数：9

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