Piltz R O, Maclean J R, Clark S J, et al. Structure and Properties of Silicon Ⅻ: A Complex Tetrahedrally Bonded Phase [J]. Phys Rev B, 1995, 52: 4072-4085.
[2]
Segall M D, Lindan P J D, Probert M J, et al. First-Principles Simulation: Ideas, Illustrations and the CASTEP Code [J]. J Phys Cond Matt, 2002, 14: 2717-2743.
[3]
Perdew J P, Zunger A. Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems [J]. Phys Rev B, 1981, 23: 5048-5079.
[4]
Crain J, Clark S J, Ackland G J, et al. Theoretical Study of High-Density Phases of Covalent Semiconductors I Ab Initio Treatment [J]. Phys Rev B, 1994, 49: 5329-5340.
[5]
Mujica A, Rubio A, Nuoz A, et al. High-Pressure Phases of Group-Ⅳ, Ⅲ-Ⅴ, and Ⅱ-ⅥCompounds [J]. Rev Mod Phys, 2003, 75: 863-912.
[6]
Mujica A, Needs R J. First-Principles Calculations of the Structural Properties, Stability, and Band Structure of Complex Tetrahedral Phases of Germanium: ST12 and BC8 [J]. Phys Rev B, 1993, 48: 17010-17016.
[7]
Needs R J, Mujica A. First-Principles Pseudopotential Study of the Structural Phases of Silicon [J]. Phys Rev B, 1995, 51: 9652-9660.
[8]
Crain J, Ackland G J, Maclean J R, et al. Reversible Pressure-Induced Structural Transitions between Metastable Phases of Silicon [J]. Phys Rev B, 1994, 50: 13043-13046.
