High pressure phases of group IV, III--V, and II--VI compounds
Reviews Of Modern Physics 75, 863 - 912 (2003)
High pressure phases of group IV, III--V, and II--VI compounds
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 same time, improvements in the resolution of powder x-ray diffraction experiments and more sophisticated methods of data analysis have revealed the existence of many new and unexpected high-pressure phases. The most complete set of theoretical and experimental data obtained to date is for the group-IVA elements and the group-IIIA–VA and IIB–VIA compounds. Here the authors review the currently known structures and high-pressure behavior of these materials and the theoretical work that has been done on them. The capabilities of modern first-principles methods are illustrated by a full comparison with the experimental data.
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- http://dx.doi.org/10.1103/RevModPhys.75.863