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Volumn 29, Issue 4, 2009, Pages 578-581

Ab initio calculations of the wolframite MnWO4 under high pressure

Author keywords

Ab initio; High pressure; MnWO4; Wolframite structure

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; EQUATION OF STATE; EXPERIMENTAL DATA; HIGH PRESSURE; LOWEST ENERGY STATE; PRESSURE EVOLUTION; STRUCTURAL PARAMETER; ZERO PRESSURE;

EID: 76149126474     PISSN: 08957959     EISSN: 14772299     Source Type: Journal    
DOI: 10.1080/08957950903438481     Document Type: Conference Paper
Times cited : (13)

References (11)
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  • 4
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  • 5
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B 59 (1999), pp. 1758-1775.
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    • Kresse, G.1    Joubert, D.2
  • 6
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse and J. Hafner, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996), pp. 11169-11186.
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Hafner, J.2
  • 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. 3865-13838
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    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 8
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    • Special points for Brillouin-zone integrations
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    • Monkhorst, H.J.1    Pack, J.D.2
  • 9
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    • The compressibility of media under extreme pressures
    • F. Murnaghan, The compressibility of media under extreme pressures, Proc. Natl Acad. Sci. USA 30 (1944), pp. 244-247.
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    • Murnaghan, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.