Phys. Rev. Lett. 82, 767–770 (1999)Theory of Systematic Absence of NaCl-Type ( β-Sn–Type) High Pressure Phases in Covalent (Ionic) SemiconductorsReceived 23 July 1998; published in the issue dated 25 January 1999 Recent high pressure x-ray experiments show that, contrary to traditional expectations, the NaCl structure is not present in covalent semiconductors, and the diatomic β-Sn structure is absent in all compound semiconductors. We explain these systematic absences in terms of dynamical phonon instabilities of the NaCl and β-Sn crystal structures. Covalent materials in the NaCl structure become dynamically unstable with respect to the transverse acoustic TA[001] phonon, while ionic compounds in the β-Sn structure exhibit phonon instabilities in the longitudinal optical LO[00ξ] branch. The latter lead to predicted new high pressure phases of octet semiconductors. © 1999 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.82.767
DOI:
10.1103/PhysRevLett.82.767
PACS:
61.50.Ah, 63.20.Dj, 64.60.-i
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