High-pressure phases of amorphous and crystalline silicon

被引：39

作者：

Durandurdu, M ^{[1
]}

Drabold, DA

机构：

[1] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

[2] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 21期

关键词：

D O I：

10.1103/PhysRevB.67.212101

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study pressure-induced phase transitions in amorphous silicon and crystalline diamond silicon from Gibbs free energies considerations using ab initio total energy calculations. We predict a pressure-induced crystallization of the amorphous network at 2.5 GPa and a first order amorphous to amorphous phase transition at 9 GPa. Furthermore, we find a pressure-induced high density amorphization of crystalline diamond silicon around 15 GPa.

引用

页数：3

共 27 条

[1] Amorphous-crystal interface in silicon: A tight-binding simulation [J].

Bernstein, N ;

Aziz, MJ ;

Kaxiras, E .

PHYSICAL REVIEW B, 1998, 58 (08) :4579-4583

[2]

Chaikin P.M., 2007, PRINCIPLES CONDENSED

[3] Pressure-induced amorphization and an amorphous-amorphous transition in densified porous silicon [J].

Deb, SK ;

Wilding, M ;

Somayazulu, M ;

McMillan, PF .

NATURE, 2001, 414 (6863) :528-530

[4] Expanded-volume phases of silicon: Zeolites without oxygen [J].

Demkov, AA ;

Windl, W ;

Sankey, OF .

PHYSICAL REVIEW B, 1996, 53 (17) :11288-11291

[5] COMPUTER-MODEL OF TETRAHEDRAL AMORPHOUS DIAMOND [J].

DJORDJEVIC, BR ;

THORPE, MF ;

WOOTEN, F .

PHYSICAL REVIEW B, 1995, 52 (08) :5685-5689

[6]

DOMNICH V, 2001, MRS S P, V649

[7] CALORIMETRIC STUDIES OF CRYSTALLIZATION AND RELAXATION OF AMORPHOUS SI AND GE PREPARED BY ION-IMPLANTATION [J].

DONOVAN, EP ;

SPAEPEN, F ;

TURNBULL, D ;

POATE, JM ;

JACOBSON, DC .

JOURNAL OF APPLIED PHYSICS, 1985, 57 (06) :1795-1804

[8] First-order pressure-induced polyamorphism in germanium [J].

Durandurdu, M ;

Drabold, DA .

PHYSICAL REVIEW B, 2002, 66 (04) :412011-412014

[9] Simulation of pressure-induced polyamorphism in a chalcogenide glass GeSe2 -: art. no. 104208 [J].

Durandurdu, M ;

Drabold, DA .

PHYSICAL REVIEW B, 2002, 65 (10) :1042081-1042088

[10] Ab initio simulation of first-order amorphous-to-amorphous phase transition of silicon -: art. no. 014101 [J].

Durandurdu, M ;

Drabold, DA .

PHYSICAL REVIEW B, 2001, 64 (01) :141011-141017

← 1 2 3 →