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Volumn 45, Issue 18, 2010, Pages 5094-5100

Atomistic study of vibrational properties of γ-Al2O 3

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AB INITIO METHOD; ATOMISTIC STUDIES; CLASSICAL FORCE FIELDS; CORE-SHELL; FORCE FIELDS; FREQUENCY CUTOFF; INFRARED SPECTRUM; INTERATOMIC INTERACTIONS; POLARIZABILITIES; POLYCRYSTALLINE; REPULSIVE INTERACTIONS; STRUCTURAL MODELS; UNIT CELLS; VAN DER WAALS; VIBRATIONAL DENSITY OF STATE; VIBRATIONAL PROPERTIES;

EID: 77955435301     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-010-4477-5     Document Type: Conference Paper
Times cited : (25)

References (29)
  • 3
    • 0030879486 scopus 로고    scopus 로고
    • Surface energies and thermodynamic phase stability in nanocrystalline aluminas
    • DOI 10.1126/science.277.5327.788
    • JM McHale A Auroux AJ Perrota A Navrotsky 1997 Science 277 5327 10.1126/science.277.5327.788 (Pubitemid 27366723)
    • (1997) Science , vol.277 , Issue.5327 , pp. 788-789
    • McHale, J.M.1    Auroux, A.2    Perrotta, A.J.3    Navrotsky, A.4
  • 4
    • 0035130127 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.63.024102 2001PhRvB.63b4102W
    • C Wolverton KC Hass 2001 Phys Rev B 63 2 024102 10.1103/PhysRevB.63. 024102 2001PhRvB..63b4102W
    • (2001) Phys Rev B , vol.63 , Issue.2 , pp. 024102
    • Wolverton, C.1    Hass, K.C.2
  • 5
    • 0036147297 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.65.012101 2002PhRvB.65a2101G
    • G Gutiérrez A Taga B Johansson 2002 Phys Rev B 65 1 012101 10.1103/PhysRevB.65.012101 2002PhRvB..65a2101G
    • (2002) Phys Rev B , vol.65 , Issue.1 , pp. 012101
    • Gutiérrez, G.1    Taga, A.2    Johansson, B.3
  • 8
  • 12
    • 28344450125 scopus 로고    scopus 로고
    • Determination of the structure of γ-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model
    • DOI 10.1103/PhysRevB.71.224115, 224115
    • G Paglia AL Rohl CE Buckley JD Gale 2005 Phys Rev B 71 224115 10.1103/PhysRevB.71.224115 2005PhRvB..71v4115P (Pubitemid 41717917)
    • (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.22 , pp. 1-16
    • Paglia, G.1    Rohl, A.L.2    Buckley, C.E.3    Gale, J.D.4
  • 16
    • 33751305218 scopus 로고    scopus 로고
    • 3 by DFT and Rietveld-refinement simulations"
    • DOI 10.1021/jp061648m
    • G Paglia CE Buckley AL Rohl 2006 J Phys Chem B 110 20721 10.1021/jp061648m 1:CAS:528:DC%2BD28Xot1Cgt74%3D 17034265 (Pubitemid 44797507)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.41 , pp. 20721-20723
    • Paglia, G.1    Buckley, C.E.2    Rohl, A.L.3
  • 17
    • 38849172433 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.024112 2008PhRvB.77b4112T
    • SV Tsybulya GN Kryukova 2008 Phys Rev B 77 024112 10.1103/PhysRevB.77. 024112 2008PhRvB..77b4112T
    • (2008) Phys Rev B , vol.77 , pp. 024112
    • Tsybulya, S.V.1    Kryukova, G.N.2
  • 19
    • 47749131235 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.78.014106 2008PhRvB.78a4106C
    • WY Ching L Ouyang P Rulis H Yao 2008 Phys Rev B 78 014106 10.1103/PhysRevB.78.014106 2008PhRvB..78a4106C
    • (2008) Phys Rev B , vol.78 , pp. 014106
    • Ching, W.Y.1    Ouyang, L.2    Rulis, P.3    Yao, H.4
  • 22
    • 0242341371 scopus 로고    scopus 로고
    • The General Utility Lattice Program (GULP)
    • DOI 10.1080/0892702031000104887, PII 305K4CVNJHLN38CB
    • J Gale A Rohl 2003 Mol Simul 29 291 1047.81583 10.1080/ 0892702031000104887 1:CAS:528:DC%2BD3sXjtlSntLo%3D (Pubitemid 44115103)
    • (2003) Molecular Simulation , vol.29 , Issue.5 , pp. 291-341
    • Gale, J.D.1    Rohl, A.L.2
  • 24
    • 35949006578 scopus 로고
    • 10.1103/PhysRevB.50.11996 1:CAS:528:DyaK2MXhvFCktLk%3D 1994PhRvB.5011996S
    • FH Streitz JW Mintmire 1994 Phys Rev B 50 11996 10.1103/PhysRevB.50.11996 1:CAS:528:DyaK2MXhvFCktLk%3D 1994PhRvB..5011996S
    • (1994) Phys Rev B , vol.50 , pp. 11996
    • Streitz, F.H.1    Mintmire, J.W.2
  • 26
    • 0000860047 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.60.773 1:CAS:528:DyaK1MXktlait7k%3D 1999PhRvB.60.773S
    • FH Streitz JW Mintmire 1999 Phys Rev B 60 773 10.1103/PhysRevB.60.773 1:CAS:528:DyaK1MXktlait7k%3D 1999PhRvB..60..773S
    • (1999) Phys Rev B , vol.60 , pp. 773
    • Streitz, F.H.1    Mintmire, J.W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.