Classical Molecular Dynamics Study On Crystallization Of Amorphous Silicon

被引：0

作者：

Shanavas, K. V. ^{[1
]}

Ojha, Udbhav ^{[2
]}

Garg, Nandini ^{[1
]}

Sharma, Surinder M. ^{[1
]}

机构：

[1] Bhabha Atom Res Ctr, High Pressure & Synchrotron Radiat Phys Div, Bombay 400085, Maharashtra, India

[2] Dhanbad Sch Mines, Dept Phys, Dhanbad, Bihar, India

来源：

INTERNATIONAL CONFERENCE ON PHYSICS OF EMERGING FUNCTIONAL MATERIALS (PEFM-2010) | 2010年 / 1313卷

关键词：

Classical Molecular dynamics; Crystallization; Silicon; GERMANIUM; FIELDS;

D O I：

暂无

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Crystallization of amorphous silicon to diamond structure under high pressures is studied with the help of classical molecular dynamics simulations, for the first time. We find that, as pressure is increased, the crystallization temperature decreases up to 10 GPa and then begins to increase. Beyond 15 GPa crystallization is not observed and the system transforms to a denser amorphous phase (HDA). Gradual densification and increase of coordination in the amorphous phase can explain the observed crystallization curve.

引用

页码：382 / +

页数：2

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