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Phonons in the beta-tin, Imma, and sh phases of Silicon
from ab initio calculations
Gaál-Nagy, Katalin und Strauch, Dieter
(2006)
Phonons in the beta-tin, Imma, and sh phases of Siliconfrom ab initio calculations. Physical Review B 73, 014117.
Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:33
Artikel
Zusammenfassung
We study the lattice statics and dynamics of Si near the beta-tin -> Imma -> sh phase transitions. The pressure at and the order of the phase transitions can be determined precisely from the dynamical rather than the static properties. We also present an interpretation of measured Raman frequencies of a high-pressure structure of silicon correcting a previous assignment to the beta-tin phase, ...
We study the lattice statics and dynamics of Si near the beta-tin -> Imma -> sh phase transitions. The pressure at and the order of the phase transitions can be determined precisely from the dynamical rather than the static properties. We also present an interpretation of measured Raman frequencies of a high-pressure structure of silicon correcting a previous assignment to the beta-tin phase, since the Imma phase was unknown. With the new assignment, the ab initio phonon frequencies display an excellent agreement with the experimental data. The sh -> Imma transition is accompanied by soft modes which should be accessible in future experiments. The phonon-dispersion curves and density of states point at irregularities of the behavior of the superconducting temperature as a function of the pressure for these phases.
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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B | ||||
| Verlag: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | COLLEGE PK | ||||
| Band: | 73 | ||||
| Seitenbereich: | 014117 | ||||
| Datum | Januar 2006 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Entpflichtete oder im Ruhestand befindliche Professoren > Arbeitsgruppe Dieter Strauch | ||||
| Identifikationsnummer |
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| Stichwörter / Keywords | HIGH-PRESSURE PHASES; HEXAGONAL SILICON; FORCE-CONSTANTS; ELECTRON-GAS; SI; GE; TRANSITION; SUPERCONDUCTIVITY; SEMICONDUCTORS; PSEUDOPOTENTIALS; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| Dokumenten-ID | 1821 |
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