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High-pressure phases of group-IV, III-V, and II-VI compounds

AutorMujica, A.; Rubio, Angel; Muñoz, A. ; Needs, R. J.
Fecha de publicación2003
EditorAmerican Physical Society
CitaciónReviews of Modern Physics 75: 863-912 (2003)
ResumenAdvances 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.
Versión del editorhttp://dx.doi.org/10.1103/RevModPhys.75.863
Identificadoresdoi: 10.1103/RevModPhys.75.863
issn: 0034-6861
e-issn: 1539-0756
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