A comparative study on electronic and structural properties of transition metal monosilicides, CrSi(B20-type), RhSi(B20-type), RhSi(B31-type) and RhSi(B2-type)
Yükleniyor...
Dosyalar
Tarih
2011
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Pergamon-Elsevier Science Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Transition metal based monosilicide compounds (CrSi and RhSi) have been investigated theoretically from ab initio calculations. The structural and electronic band calculations of CrSi and different phases of RhSi crystals show that the metallic property and hypothetically constructed structures of RhSi(Pnma) under different pressures from 0 GPa to 75 GPa show a certain difference only along Gamma-Z directions of the high symmetry points of first Brillouin zone. The character of the bands around fermi level was determined by partial density of state calculations. (C) 2011 Elsevier Ltd. All rights reserved.
Açıklama
Anahtar Kelimeler
Intermetallic Compounds, Metals, Ab Initio Calculations, Crystal Structure, Electronic Structure
Kaynak
Journal Of Physics And Chemistry Of Solids
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
72
Sayı
11
