THE INFLUENCE OF TEMPERATURE, ISOTOPE COMPOSITION AND IMPURITIES ON THE LATTICE-PARAMETER OF SI

被引：2

作者：

BIERNACKI, SW ^{[1
]}

机构：

[1] POLISH ACAD SCI,INST PHYS,PL-02668 WARSAW,POLAND

来源：

METROLOGIA | 1994年 / 31卷 / 03期

关键词：

D O I：

10.1088/0026-1394/31/3/011

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

We report first-principles density-functional theory calculations of the dependence of the Si lattice parameter on temperature and isotopic composition. The origin of the ''unusual'' lattice contraction on heating to about 120 K is traced to the entropy contribution to the Helmholtz free energy. The lattice parameter difference in isotopic compositions is largest at low temperature and decreases monotonically with increasing temperature. Far away from the defect, the defect-induced displacement amplitudes due to substitutional heterovalent impurities decrease nonmonotonically and are anisotropic.

引用

页码：251 / 254

页数：4

共 13 条

[1]

BECKER P, COMMUNICATION

[2] NEGATIVE THERMAL-EXPANSION OF DIAMOND AND ZINCBLENDE SEMICONDUCTORS [J].