Theoretical Predictions for High-Pressure Elastic, Mechanical, and Phonon Properties of SiGe Alloy
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Tarih
2016
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer New York LLC
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Elastic, mechanical, and phonon properties of zinc blende (ZB)-type SiGe ordered alloy were theoretically investigated in detail under pressures up to 12 GPa. Unlike earlier theoretical calculations of literature, a Stillinger-Weber-type interatomic potential was applied to this work for the first time with geometry optimization calculations. Pressure dependence of typical cubic elastic constants, bulk, shear and Young moduli, elastic wave velocities, Kleinman parameter, elastic anisotropy factor, phonon dispersion, as well as density of states of SiGe alloy were calculated and compared with other results when available. In general, our results for the above considered quantities of SiGe alloy are satisfactory and compare well the former theoretical data of alloy. © 2016, Sociedade Brasileira de Física.
Açıklama
Anahtar Kelimeler
Elastic Constants, GULP, Mechanical Properties, Phonon, SiGe
Kaynak
Brazilian Journal of Physics
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
46
Sayı
2
Künye
Güler, M., & Güler, E. (2016). Theoretical Predictions for High-Pressure Elastic, Mechanical, and Phonon Properties of SiGe Alloy. Brazilian Journal of Physics, 46(2), 192-197.
