Theoretical study of the cinnabar phases in GaAs and GaP

被引:33
作者
Mujica, A [1 ]
Munoz, A
Needs, RJ
机构
[1] Univ La Laguna, Dept Fis Fundamental & Expt, E-38205 Tenerife, Spain
[2] Univ Cambridge, Cavendish Lab, Condensed Matter Theory Grp, Cambridge CB3 0HE, England
来源
PHYSICAL REVIEW B | 1998年 / 57卷 / 03期
关键词
D O I
10.1103/PhysRevB.57.1344
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present an ab initio pseudopotential study of the cinnabar phases of GaAs and GaP, which are covalently bonded fourfold-coordinated structures formed from twisted tetrahedra. We find that these phases are not thermodynamically stable. We suggest, however, that cinnabar-GaP could be formed as a metastable phase by releasing pressure from the Cmcm phase, as recently observed in GaAs.
引用
收藏
页码:1344 / 1347
页数:4
相关论文
共 13 条
[1]   Ab initio calculations of the pressure-induced structural phase transitions for four II-VI compounds [J].
Cote, M ;
Zakharov, O ;
Rubio, A ;
Cohen, ML .
PHYSICAL REVIEW B, 1997, 55 (19) :13025-13031
[2]   REVERSIBLE PRESSURE-INDUCED STRUCTURAL TRANSITIONS BETWEEN METASTABLE PHASES OF SILICON [J].
CRAIN, J ;
ACKLAND, GJ ;
MACLEAN, JR ;
PILTZ, RO ;
HATTON, PD ;
PAWLEY, GS .
PHYSICAL REVIEW B, 1994, 50 (17) :13043-13046
[3]   Microscopic study of the pressure-induced structural phase transition of ZnTe [J].
Lee, GD ;
Ihm, J .
PHYSICAL REVIEW B, 1996, 53 (12) :R7622-R7625
[4]  
MAMAHON MI, 1997, PHYS REV LETT, V78, P3697
[5]   STRUCTURAL STUDIES OF TETRAHEDRALLY-COORDINATED SEMICONDUCTORS AT HIGH-PRESSURE - NEW SYSTEMATICS [J].
MCMAHON, MI ;
NELMES, RJ .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1995, 56 (3-4) :485-490
[6]   Theoretical study of the high-pressure phase stability of GaP, InP, and InAs [J].
Mujica, A ;
Needs, RJ .
PHYSICAL REVIEW B, 1997, 55 (15) :9659-9670
[7]   FIRST-PRINCIPLES PSEUDOPOTENTIAL STUDY OF THE PHASE-STABILITY OF THE III-V SEMICONDUCTORS GAAS AND ALAS [J].
MUJICA, A ;
NEEDS, RJ ;
MUNOZ, A .
PHYSICAL REVIEW B, 1995, 52 (12) :8881-8892
[8]   1ST-PRINCIPLES CALCULATIONS OF THE STRUCTURAL-PROPERTIES, STABILITY, AND BAND-STRUCTURE OF COMPLEX TETRAHEDRAL PHASES OF GERMANIUM - ST12 AND BC8 [J].
MUJICA, A ;
NEEDS, RJ .
PHYSICAL REVIEW B, 1993, 48 (23) :17010-17017
[9]   The Cmcm structure as a stable phase of binary compounds: Application to GaAs-II [J].
Mujica, A ;
Needs, RJ .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (15) :L237-L243
[10]   Theoretical study of the high-pressure phase stability of GaP, InP, and InAs (vol 55, pg 9659, 1997) [J].
Mujica, A ;
Needs, RJ .
PHYSICAL REVIEW B, 1997, 56 (19) :12653-12654