Mechanical and lattice dynamical properties of the Re2C compound

Özışık H., Deligöz E., Colakoglu K., Surucu G.

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, cilt.4, sa.12, ss.347-349, 2010 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 4 Sayı: 12
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1002/pssr.201004397
  • Dergi Adı: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.347-349
  • Anahtar Kelimeler: ab initio, Re2C, mechanical properties, phonons, hardness, TOTAL-ENERGY CALCULATIONS, THERMODYNAMICAL PROPERTIES, WAVE
  • Gazi Üniversitesi Adresli: Evet

Özet

In this work density functional theory calculations on the shear products. Young modulus, poisssons ratio, hardness, structural mechanical and dynamical properties of Debye temperature and sound develocities of this compound. Re2C without B-type structure are reported. The general Furthermore the band structure phonon disperssion curvesized gadient approximation has been used for modeling and corresponding density of states are computed. The ob-change-correlation effects. We have predicted the latice and results are in good agreement with the available ex-constants bulk modulus bond distances elastic constants permiental and other theoritical data. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim