THERMAL-EXPANSION OF C-SI VIA ABINITIO MOLECULAR-DYNAMICS

被引：32
作者：
BUDA, F
CAR, R
PARRINELLO, M
机构：
[1] International School for Advanced Studies
来源：
PHYSICAL REVIEW B | 1990年 / 41卷 / 03期
关键词：
D O I：
10.1103/PhysRevB.41.1680
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We show that thermodynamic properties of semiconductors are accessible to first-principles calculations and can be computed with good accuracy. © 1990 The American Physical Society.
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页码：1680 / 1683
页数：4
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