Advances in the accuracy and efficiency of first-principles electronic structure calculations
have allowed detailed studies of the energetics of materials under high pressures. At the …

Progress in high pressure physics is reviewed with special emphasis on recent
developments in experimental techniques, pressure calibration, equations of state for simple …

Publisher Summary This chapter discusses structural transitions in the group IV, III–V, and II–
VI semiconductors under pressure. The most preferred technique of structural transitions is …

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We report on pseudopotential calculations of the structural properties and pressure-induced
solid-solid phase transitions for four II-VI compounds: ZnSe, ZnTe, CdSe, and CdTe. For …

Effectively engineering the lattice thermal conductivity of materials is a key interest of the
current thermal science community. Pressure or compressive strain is one of the most …

A concise description of models and quantitative parameters in structural chemistry and their
interrelations, with 280 tables and> 3000 references giving the most up-to-date experimental …

The structural phase transformations of ZnS, ZnSe and ZnTe under high pressure are
studied by tight binding linear muffin tin orbital (TB-LMTO) method. A simple cubic 16 (SC16) …

We have studied the structural properties of CdO in the rock-salt (sodium chloride), cinnabar,
orthorhombic cmcm, cesium chloride, nickel arsenide, zinc blende, and wurtzite structures …

A first-principles pseudopotential study of the phase stability of the III-V semiconductors
GaAs and AlAs is reported. For both compounds we study the zinc-blende, wurtzite, NaCl …