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Volumn 128, Issue 19, 2008, Pages

Free enthalpy landscape of SrO

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTICITY; ENTHALPY; METASTABLE PHASES; THERMODYNAMIC STABILITY;

EID: 44349184244     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2919988     Document Type: Article
Times cited : (21)

References (124)
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    • (1998) Reviews in Mineralogy , vol.37
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    • MSSC2003, Torino, Italy.
    • Y. Noel and R. Dovesi MSSC2003, Torino, Italy (2003) (http://www.crystal. unito.it/).
    • (2003)
    • Noel, Y.1    Dovesi, R.2
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    • D. Alf́, Program available at http://chianti.geol.ucl.ac.uk/dario~, 1998.
    • (1998)
    • Alf́, D.1
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    • 0003524125 scopus 로고    scopus 로고
    • Vol., edited by O. Madelung, U. Rössler, and M. Schulz (Springer-Verlag. Berlin).
    • Landolt-Börnstein, New Series group III, Vol. 41b, edited by, O. Madelung, U. Rössler, and, M. Schulz, (Springer-Verlag. Berlin, 1999).
    • (1999) Landolt-Börnstein, New Series Group III , vol.41
  • 98
    • 44349083376 scopus 로고    scopus 로고
    • See EPAPS document No. E-JCPSA6-128-804820 for (a) elastic constants for eight possible (meta)stable modifications in the system SrO (Β-BeO, wurtzite, NbS, 5-5, NiAs, TiP, sphalerite,CsCl) at standard conditions, (b) thermodynamic data for eight possible (meta)stable modifications in the system for SrO (Β-BeO, wurtzite, NbS, 5-5, NiAs, NaCl,sphalerite,CsCl) at standard pressure, (c) phonon dispersion curves for the rocksalt-type modification of SrO at standard pressure. All these data are computed on ab initio level (DFT-B3LYP). For more information on EPAPS, see.
    • See EPAPS document No. E-JCPSA6-128-804820 for (a) elastic constants for eight possible (meta)stable modifications in the system SrO (Β-BeO, wurtzite, NbS, 5-5, NiAs, TiP, sphalerite,CsCl) at standard conditions, (b) thermodynamic data for eight possible (meta)stable modifications in the system for SrO (Β-BeO, wurtzite, NbS, 5-5, NiAs, NaCl,sphalerite,CsCl) at standard pressure, (c) phonon dispersion curves for the rocksalt-type modification of SrO at standard pressure. All these data are computed on ab initio level (DFT-B3LYP). For more information on EPAPS, see http://www.aip.org/pubservs/ epaps.html.
  • 122
    • 0003477976 scopus 로고
    • edited by I. Barin, F. Sauert, E. Schultze-Rhonhof, and W. S. Sheng (VCH Verlaggesellschaft mbH, Weinheim), Pt..
    • Thermochemical Data of Pure Substances, edited by, I. Barin, F. Sauert, E. Schultze-Rhonhof, and, W. S. Sheng, (VCH Verlaggesellschaft mbH, Weinheim, 1989), Pt..
    • (1989) Thermochemical Data of Pure Substances
  • 123
    • 44349090693 scopus 로고    scopus 로고
    • The SGTE substance database, Version 1997, SGTE (Scientific GrouThermodata Europe), Grenoble, France.
    • The SGTE substance database, Version 1997, SGTE (Scientific Group Thermodata Europe), Grenoble, France, 1997.
    • (1997)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.