메뉴 건너뛰기




Volumn 82, Issue 3, 2010, Pages

Stability of oxygen point defects in UO2 by first-principles DFT+U calculations: Occupation matrix control and Jahn-Teller distortion

Author keywords

[No Author keywords available]

Indexed keywords


EID: 77956659843     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.035114     Document Type: Article
Times cited : (205)

References (47)
  • 1
    • 10644250257 scopus 로고
    • 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 2
    • 0042113153 scopus 로고
    • 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 4
    • 0041843795 scopus 로고    scopus 로고
    • 2±x
    • DOI 10.1126/science.1086505
    • L. Petit, A. Svane, Z. Szotek, and W. Temmerman, Science 301, 498 (2003). 10.1126/science.1086505 (Pubitemid 36900303)
    • (2003) Science , vol.301 , Issue.5632 , pp. 498-501
    • Petit, L.1    Svane, A.2    Szotek, Z.3    Temmerman, W.H.4
  • 7
    • 34249102935 scopus 로고    scopus 로고
    • Correlation effects and energetics of point defects in uranium dioxide: A first principle investigation
    • DOI 10.1080/14786430701235814, PII 778835664
    • F. Gupta, G. Brillant, and A. Pasturel, Philos. Mag. 87, 2561 (2007). 10.1080/14786430701235814 (Pubitemid 46795146)
    • (2007) Philosophical Magazine , vol.87 , Issue.17 , pp. 2561-2569
    • Gupta, F.1    Brillant, G.2    Pasturel, A.3
  • 14
    • 43949093835 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.184110
    • G. Brillant and A. Pasturel, Phys. Rev. B 77, 184110 (2008). 10.1103/PhysRevB.77.184110
    • (2008) Phys. Rev. B , vol.77 , pp. 184110
    • Brillant, G.1    Pasturel, A.2
  • 26
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 27
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 28
  • 29
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 30
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 33
  • 42
  • 44
    • 34249945199 scopus 로고    scopus 로고
    • 2+x
    • DOI 10.1016/j.jnucmat.2007.03.054, PII S002231150700476X, Proceedings of the Symposium on Space Reactor Fuels and Materials held in conjunction with the 2006 Annual Meeting of The Minerals, Metals, and Materials Society (TMS)
    • J. D. Higgs, W. T. Thompson, B. J. Lewis, and S. C. Vogel, J. Nucl. Mater. 366, 297 (2007). 10.1016/j.jnucmat.2007.03.054 (Pubitemid 46880522)
    • (2007) Journal of Nuclear Materials , vol.366 , Issue.3 , pp. 297-305
    • Higgs, J.D.1    Thompson, W.T.2    Lewis, B.J.3    Vogel, S.C.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.