Cmcm phase of GeS at high pressure -: art. no. 144106

被引：19

作者：

Durandurdu, M ^{[1
]}

机构：

[1] Univ Texas, Dept Phys, El Paso, TX 79968 USA

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 14期

关键词：

D O I：

10.1103/PhysRevB.72.144106

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study the pressure-induced phase transition of the layered GeS structure using a constant-pressure ab initio technique. For the first time, we predict a gradual phase transition to a Cmcm structure with the application of hydrostatic pressure. The high-pressure phase is still a layered structure, consisting of rocksaltlike bilayers, but it has an unusual fivefold coordination. The transition is due to the significant decrease of second neighbor distances. We also find the metallization of GeS prior to transforming into the Cmcm phase.

引用

收藏

页数：4

相关论文

共 20 条

[1] High-pressure semiconductor-semimetal transition in TiS2 [J].

Allan, DR ;

Kelsey, AA ;

Clark, SJ ;

Angel, RJ ;

Ackland, GJ .

PHYSICAL REVIEW B, 1998, 57 (09) :5106-5110

[2] PRESSURE-INDUCED 1ST-ORDER TRANSITION IN LAYERED CRYSTALLINE SEMICONDUCTOR GESE TO A METALLIC PHASE [J].

BHATIA, KL ;

PARTHASARATHY, G ;

GOSAIN, DP ;

GOPAL, ESR .

PHYSICAL REVIEW B, 1986, 33 (02) :1492-1494

[3]

Chattopadhyay T., 1984, MATER RES SOC S P, V22, P83

[4] Pressure-induced amorphous-to-amorphous phase transition in GaAs [J].

Durandurdu, M .

PHYSICAL REVIEW B, 2004, 70 (08) :085204-1

[5] Structural phase transition of germanium under uniaxial stress:: An ab initio study -: art. no. 054112 [J].

Durandurdu, M .

PHYSICAL REVIEW B, 2005, 71 (05)

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

Durandurdu, M ;

Drabold, DA .

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

[7] 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

[8] Pressure-induced structural phase transition of paracrystalline silicon [J].

Durandurdu, M ;

Drabold, DA .

PHYSICAL REVIEW B, 2002, 66 (20) :2052041-2052046

[9] 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

[10] HIGH-PRESSURE EFFECTS IN THE LAYERED SEMICONDUCTOR GERMANIUM SELENIDE [J].

HSUEH, HC ;

VASS, H ;

CLARK, SJ ;

ACKLAND, GJ ;

CRAIN, J .

PHYSICAL REVIEW B, 1995, 51 (23) :16750-16760