Molecular dynamics simulation of local structure in Pb1-xGexTe

被引：0

作者：

Maruyama, S ^{[1
]}

Katayama, S ^{[1
]}

Tagawa, T ^{[1
]}

Iida, M ^{[1
]}

机构：

[1] Japan Adv Inst Sci & Technol, Sch Mat Sci, Tatsunokuchi, Ishikawa 9231292, Japan

来源：

PROCEEDINGS OF THE 10TH INTERNATIONAL CONFERENCE ON NARROW GAP SEMICONDUCTORS AND RELATED SMALL ENERGY PHENOMENA, PHYSICS AND APPLICATIONS | 2001年 / 2卷

关键词：

local structure; EXAFS; PbGeTe; off-center ion; molecular-dynamics simulation;

D O I：

暂无

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Local structure of pseudocubic Pb1-xGexTe is explored by molecular-dynamics (MD) simulation of crystalline states with effective pair potentials. The resultant structure is compared with that of Pb1-xSnxTe. It is shown that the pair correlation functions of Pb1-xGexTe indicate the significant local displacement of Te2- ions from the nominal lattice sites in addition to the off-center displacement of Ge2+ ions, while the Pb-Te bonds persist their proper length even in higher Ge concentration.

引用

页码：58 / 60

页数：3

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