메뉴 건너뛰기




Volumn 83, Issue 7, 2011, Pages

First-principles investigation of higher oxides of uranium and neptunium: U3O8 and Np2O5

Author keywords

[No Author keywords available]

Indexed keywords


EID: 79961053796     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.075109     Document Type: Article
Times cited : (45)

References (77)
  • 2
    • 0000433922 scopus 로고
    • SSCOA4 0038-1098 10.1016/0038-1098(80)91210-7
    • Y. Baer and J. Schoenes, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(80)91210-7 33, 885 (1980).
    • (1980) Solid State Commun. , vol.33 , pp. 885
    • Baer, Y.1    Schoenes, J.2
  • 3
    • 0009938071 scopus 로고
    • JESRAW 0368-2048 10.1016/0368-2048(82)85064-0
    • L. E. Cox, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 10.1016/0368-2048(82)85064-0 26, 167 (1982).
    • (1982) J. Electron Spectrosc. Relat. Phenom. , vol.26 , pp. 167
    • Cox, L.E.1
  • 7
    • 8444247218 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.89.266402
    • K. N. Kudin, G. E. Scuseria, and R. L. Martin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.266402 89, 266402 (2002).
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 266402
    • Kudin, K.N.1    Scuseria, G.E.2    Martin, R.L.3
  • 18
    • 50549182865 scopus 로고
    • JINCAO 0022-1902 10.1016/0022-1902(62)80219-X
    • L. Lynds, J. Inorg. Nucl. Chem. JINCAO 0022-1902 10.1016/0022-1902(62) 80219-X 24, 1007 (1962).
    • (1962) J. Inorg. Nucl. Chem. , vol.24 , pp. 1007
    • Lynds, L.1
  • 19
    • 34250173080 scopus 로고
    • PPSOAU 0370-1328 10.1088/0370-1328/92/3/321
    • A. P. Cracknell and M. R. Daniel, Proc. Phys. Soc. PPSOAU 0370-1328 10.1088/0370-1328/92/3/321 9, 705 (1967).
    • (1967) Proc. Phys. Soc. , vol.9 , pp. 705
    • Cracknell, A.P.1    Daniel, M.R.2
  • 20
    • 8744271201 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.35.1770
    • J. Faber, G. H. Lander, and B. R. Cooper, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.35.1770 35, 1770 (1975).
    • (1975) Phys. Rev. Lett. , vol.35 , pp. 1770
    • Faber, J.1    Lander, G.H.2    Cooper, B.R.3
  • 22
    • 0000494542 scopus 로고
    • ACCRA9 0365-110X 10.1107/S0365110X6400158X
    • B. O. Loopstra, Acta Crystallogr. ACCRA9 0365-110X 10.1107/ S0365110X6400158X 17, 651 (1964).
    • (1964) Acta Crystallogr. , vol.17 , pp. 651
    • Loopstra, B.O.1
  • 23
    • 0014744778 scopus 로고
    • JACGAR 0021-8898 10.1107/S002188987000571X
    • B. O. Loopstra, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/S002188987000571X 3, 94 (1970).
    • (1970) J. Appl. Crystallogr. , vol.3 , pp. 94
    • Loopstra, B.O.1
  • 26
    • 84953600162 scopus 로고
    • PMAADG 0141-8610 10.1080/01418619208201570
    • R. G. J. Ball and R. W. Grimes, Philos. Mag. A PMAADG 0141-8610 10.1080/01418619208201570 66, 473 (1992).
    • (1992) Philos. Mag. A , vol.66 , pp. 473
    • Ball, R.G.J.1    Grimes, R.W.2
  • 28
    • 37049084058 scopus 로고
    • JMACEP 0959-9428 10.1039/jm9910100105
    • R. G. J. Ball and P. G. Dickens, J. Mater. Chem. JMACEP 0959-9428 10.1039/jm9910100105 1, 105 (1991).
    • (1991) J. Mater. Chem. , vol.1 , pp. 105
    • Ball, R.G.J.1    Dickens, P.G.2
  • 29
    • 0032046220 scopus 로고    scopus 로고
    • JNUMAM 0022-3115 10.1016/S0022-3115(97)00343-7
    • R. J. McEachern and P. Taylor, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/S0022-3115(97)00343-7 254, 87 (1998).
    • (1998) J. Nucl. Mater. , vol.254 , pp. 87
    • McEachern, R.J.1    Taylor, P.2
  • 30
    • 58349107438 scopus 로고    scopus 로고
    • PNENDE 0149-1970 10.1016/j.pnucene.2008.09.006
    • L. E. Herranz and F. Feria, Prog. Nucl. Energy PNENDE 0149-1970 10.1016/j.pnucene.2008.09.006 51, 201 (2009).
    • (2009) Prog. Nucl. Energy , vol.51 , pp. 201
    • Herranz, L.E.1    Feria, F.2
  • 32
    • 0020166890 scopus 로고
    • VACUAV 0042-207X 10.1016/0042-207X(82)93797-6
    • G. C. Allen, P. M. Tucker, and J. W. Tyler, Vacuum VACUAV 0042-207X 10.1016/0042-207X(82)93797-6 32, 481 (1982).
    • (1982) Vacuum , vol.32 , pp. 481
    • Allen, G.C.1    Tucker, P.M.2    Tyler, J.W.3
  • 38
    • 0041843795 scopus 로고    scopus 로고
    • 2x
    • DOI 10.1126/science.1086505
    • L. Petit, A. Svane, Z. Szotek, and W. M. Temmerman, Science SCIEAS 0036-8075 10.1126/science.1086505 301, 498 (2003). (Pubitemid 36900303)
    • (2003) Science , vol.301 , Issue.5632 , pp. 498-501
    • Petit, L.1    Svane, A.2    Szotek, Z.3    Temmerman, W.H.4
  • 42
    • 12844286241 scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.47.558 47, R558 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 43
    • 2442537377 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 45
    • 0003754095 scopus 로고
    • in edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin
    • J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991);
    • (1991) Electronic Structure of Solids '91
    • Perdew, J.P.1
  • 48
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 49
    • 33645898818 scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 50
    • 0000342836 scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.49.14211
    • M. T. Czyzyk and G. A. Sawatzky, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.49.14211 49, 14211 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 14211
    • Czyzyk, M.T.1    Sawatzky, G.A.2
  • 57
    • 79961041571 scopus 로고    scopus 로고
    • See
    • See [http://www.webelements.com].
  • 58
    • 24544450511 scopus 로고
    • ACCRA9 0365-110X 10.1107/S0365110X63002656
    • R. Engmann and P. M. de Wolff, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X63002656 16, 993 (1963).
    • (1963) Acta Crystallogr. , vol.16 , pp. 993
    • Engmann, R.1    De Wolff, P.M.2
  • 59
    • 0010329331 scopus 로고
    • ACBCAR 0567-7408 10.1107/S056774087200843X
    • C. Greaves and B. E. F. Fender, Acta Crystallogr. B ACBCAR 0567-7408 10.1107/S056774087200843X 28, 3609 (1972).
    • (1972) Acta Crystallogr. B , vol.28 , pp. 3609
    • Greaves, C.1    Fender, B.E.F.2
  • 60
    • 37649026777 scopus 로고    scopus 로고
    • Bihan, PLRBAQ 1098-0121 10.1103/PhysRevB.70.014113
    • M. Idiri, T. Le Bihan, S. Heathman, and J. Rebizant, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.70.014113 70, 014113 (2004).
    • (2004) Phys. Rev. B , vol.70 , pp. 014113
    • Idiri, M.1    Le, T.2    Heathman, S.3    Rebizant, J.4
  • 62
    • 79961066853 scopus 로고    scopus 로고
    • The PAW radii that were used in the calculations are 1.561, 1.559, and 0.820 Å, for U, Np, and O, respectively
    • The PAW radii that were used in the calculations are 1.561, 1.559, and 0.820 Å, for U, Np, and O, respectively.
  • 63
    • 0001366679 scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.14.1151
    • J. Faber and G. H. Lander, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.14.1151 14, 1151 (1976).
    • (1976) Phys. Rev. B , vol.14 , pp. 1151
    • Faber, J.1    Lander, G.H.2
  • 66
    • 77954821602 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.81.045119
    • B.-T. Wang, H. Shi, W. Li, and P. Zhang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.81.045119 81, 045119 (2010).
    • (2010) Phys. Rev. B , vol.81 , pp. 045119
    • Wang, B.-T.1    Shi, H.2    Li, W.3    Zhang, P.4
  • 67
    • 79961043744 scopus 로고    scopus 로고
    • (private communication)
    • R. Caciuffo (private communication).
    • Caciuffo, R.1
  • 68
    • 84867580842 scopus 로고
    • PRPLCM 0370-1573 10.1016/0370-1573(80)90158-1
    • J. Schoenes, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(80)90158-1 63, 301 (1980).
    • (1980) Phys. Rep. , vol.63 , pp. 301
    • Schoenes, J.1
  • 69
    • 4244190972 scopus 로고
    • PYLAAG 0375-9601 10.1016/0375-9601(74)90318-1
    • B. W. Veal and D. J. Lam, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(74)90318-1 49, 466 (1974).
    • (1974) Phys. Lett. A , vol.49 , pp. 466
    • Veal, B.W.1    Lam, D.J.2
  • 75
    • 78651245759 scopus 로고    scopus 로고
    • PLRBAQ 1098-0121 10.1103/PhysRevB.82.241103
    • M.-T. Suzuki, N. Magnani, and P. M. Oppeneer, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.241103 82, 241103 (R) (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 241103
    • Suzuki, M.-T.1    Magnani, N.2    Oppeneer, P.M.3
  • 76
    • 64449087752 scopus 로고    scopus 로고
    • JNUMAM 0022-3115 10.1016/j.jnucmat.2009.03.002
    • A. Seibert, T. Gouder, and F. Huber, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2009.03.002 389, 470 (2009).
    • (2009) J. Nucl. Mater. , vol.389 , pp. 470
    • Seibert, A.1    Gouder, T.2    Huber, F.3
  • 77
    • 0037129110 scopus 로고    scopus 로고
    • 2+x solid solution
    • DOI 10.1016/S0925-8388(01)01908-9, PII S0925838801019089
    • J. M. Haschke and T. H. Allen, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(01)01908-9 336, 124 (2002). (Pubitemid 34222401)
    • (2002) Journal of Alloys and Compounds , vol.336 , Issue.1-2 , pp. 124-131
    • Haschke, J.M.1    Allen, T.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.