메뉴 건너뛰기




Volumn 83, Issue 6, 2010, Pages 450-456

First-principles study of phase transition and elastic properties of ScSb and YSb compounds

Author keywords

ab initio; Elastic properties; phase stability; Phase transition pressure; ScSb; YSb

Indexed keywords

AB INITIO; APPLIED PRESSURE; B1 PHASE; B2 STRUCTURES; DENSITY FUNCTIONAL THEORY METHODS; DURING PHASE; ELASTIC PROPERTIES; FIRST-PRINCIPLES STUDY; PLANE WAVE; PSEUDOPOTENTIALS; VOLUME CHANGE;

EID: 77954053721     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411594.2010.494265     Document Type: Article
Times cited : (2)

References (11)
  • 3
    • 34548391419 scopus 로고    scopus 로고
    • Prediction study of structural and elastic properties under the pressure effect of M2 GaC (M=Ti,V,Nb,Ta)
    • DOI 10.1063/1.2773634
    • A. Bouhemadou and R. Khenata, Ab initio study of structural stability and elastic properties of ScSb and YSb under pressure effect, Phys. Lett. A 362 (2007), pp. 476-479. (Pubitemid 47352424)
    • (2007) Journal of Applied Physics , vol.102 , Issue.4 , pp. 043528
    • Bouhemadou, A.1    Khenata, R.2
  • 4
    • 33845629032 scopus 로고    scopus 로고
    • First principles study of structural phase transition of YSb and ScSb compounds
    • Z.J. Chen, H.Y. Xiao, and X.T. Zu, First principles study of structural phase transition of YSb and ScSb compounds, Solid State Commun. 141 (2007), pp. 359-364.
    • (2007) Solid State Commun. , vol.141 , pp. 359-364
    • Chen, Z.J.1    Xiao, H.Y.2    Zu, X.T.3
  • 5
    • 13844297017 scopus 로고    scopus 로고
    • Theoretical study of the pressure-induced structural phase transition of ScSb and YSb
    • DOI 10.1002/qua.20336, Proceedings of the Tenth International Conference on the Applications of Density Functional Theory in Chemistry and Physics - Part II of II
    • P. Rodríguez-Hernández and A. Muñoz, Theoretical study of the pressure-induced structural phase transition of ScSb and YSb, Int. J. Quantum Chem. 101 (2005), pp. 770-773. (Pubitemid 40253453)
    • (2005) International Journal of Quantum Chemistry , vol.101 , Issue.6 , pp. 770-773
    • Rodriguez-Hernandez, P.1    Munoz, A.2
  • 6
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients
    • M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos, Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients, Rev. Mod. Phys. 64 (1992), pp. 1045-1097.
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045-1097
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, J.D.5
  • 7
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77 (1996), pp. 3865-3868. (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 8
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • D. Vanderbilt, Soft self-consistent pseudopotentials in a generalized eigenvalue formalism, Phys. Rev. B 41 (1990), pp. 7892-7895.
    • (1990) Phys. Rev. B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 9
    • 1842816907 scopus 로고
    • Special points for brillouin-zone integrations
    • H.J. Monkhorst and J.D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B 13 (1976), pp. 5188-5192.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 11
    • 0000298009 scopus 로고
    • Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300 K
    • F. Birh, Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300 K, J. Geophys. Res. 83 (1978), pp. 1257-1264.
    • (1978) J. Geophys. Res. , vol.83 , pp. 1257-1264
    • Birh, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.