메뉴 건너뛰기




Volumn 89, Issue 7, 2014, Pages

First-principles DFT + G W study of oxygen vacancies in rutile TiO 2

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84897588445     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.89.075205     Document Type: Article
Times cited : (92)

References (43)
  • 1
    • 36149011401 scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.31.646
    • F. A. Grant, Rev. Mod. Phys. 31, 646 (1959). RMPHAT 0034-6861 10.1103/RevModPhys.31.646
    • (1959) Rev. Mod. Phys. , vol.31 , pp. 646
    • Grant, F.A.1
  • 2
    • 0037233037 scopus 로고    scopus 로고
    • SSREDI 0167-5729 10.1016/S0167-5729(02)00100-0
    • U. Diebold, Surf. Sci. Rep. 48, 53 (2003). SSREDI 0167-5729 10.1016/S0167-5729(02)00100-0
    • (2003) Surf. Sci. Rep. , vol.48 , pp. 53
    • Diebold, U.1
  • 3
    • 0342771639 scopus 로고
    • ELCAAV 0013-4686 10.1016/0013-4686(93)80008-N
    • J. Augustynski, Electrochim. Acta 38, 43 (1993). ELCAAV 0013-4686 10.1016/0013-4686(93)80008-N
    • (1993) Electrochim. Acta , vol.38 , pp. 43
    • Augustynski, J.1
  • 5
    • 0006483573 scopus 로고
    • 2 films
    • DOI 10.1038/353737a0
    • B. O'Regan and M. Grätzel, Nature (London) 353, 737 (1991). NATUAS 0028-0836 10.1038/353737a0 (Pubitemid 21738149)
    • (1991) Nature , vol.353 , Issue.6346 , pp. 737
    • O'Regan, B.1    Graetzel, M.2
  • 9
    • 35348875044 scopus 로고
    • NATUAS 0028-0836 10.1038/238037a0
    • A. Fujishima and K. Honda, Nature (London) 238, 37 (1972). NATUAS 0028-0836 10.1038/238037a0
    • (1972) Nature (London) , vol.238 , pp. 37
    • Fujishima, A.1    Honda, K.2
  • 10
    • 36849102568 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1676569
    • S. C. Abrahams and J. L. Bernstein, J. Chem. Phys. 55, 3206 (1971). JCPSA6 0021-9606 10.1063/1.1676569
    • (1971) J. Chem. Phys. , vol.55 , pp. 3206
    • Abrahams, S.C.1    Bernstein, J.L.2
  • 11
    • 36149014791 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.113.1222
    • D. C. Cronemeyer, Phys. Rev. 113, 1222 (1959). PHRVAO 0031-899X 10.1103/PhysRev.113.1222
    • (1959) Phys. Rev. , vol.113 , pp. 1222
    • Cronemeyer, D.C.1
  • 12
    • 0000018793 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.51.6842
    • A. Amtout and R. Leonelli, Phys. Rev. B 51, 6842 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.51.6842
    • (1995) Phys. Rev. B , vol.51 , pp. 6842
    • Amtout, A.1    Leonelli, R.2
  • 17
    • 34249107377 scopus 로고    scopus 로고
    • Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)
    • DOI 10.1103/PhysRevLett.97.226401
    • M. Hedström, A. Schindlmayr, G. Schwarz, and M. Scheffler, Phys. Rev. Lett. 97, 226401 (2006); PRLTAO 0031-9007 10.1103/PhysRevLett.97.226401 (Pubitemid 44826905)
    • (2006) Physical Review Letters , vol.97 , Issue.22 , pp. 226401
    • Hedstrom, M.1    Schindlmayr, A.2    Schwarz, G.3    Scheffler, M.4
  • 19
    • 81455135560 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803
    • M. Jain, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. 107, 216803 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.216803
    • (2011) Phys. Rev. Lett. , vol.107 , pp. 216803
    • Jain, M.1    Chelikowsky, J.R.2    Louie, S.G.3
  • 22
    • 25544479230 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
    • M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.34.5390
    • (1986) Phys. Rev. B , vol.34 , pp. 5390
    • Hybertsen, M.S.1    Louie, S.G.2
  • 25
    • 84884879617 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.88.115104
    • W. Chen and A. Pasquarello, Phys. Rev. B 88, 115104 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.115104
    • (2013) Phys. Rev. B , vol.88 , pp. 115104
    • Chen, W.1    Pasquarello, A.2
  • 28
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
    • DOI 10.1063/1.2204597
    • J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906 (E) (2006). 0021-9606 JCPSA6 10.1063/1.2204597 (Pubitemid 43877849)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.21 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 29
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 30
    • 25744460922 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 31
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 32
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996); PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 33
    • 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). CMMSEM 0927-0256 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
  • 35
    • 33645426115 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
    • N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 39
    • 84897659761 scopus 로고    scopus 로고
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.89.075205 for further details on the calculations of the electronic band structure and quasiparticle effective masses of bulk rutile TiO 2.
  • 40
    • 79959405955 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.155207
    • P. Deák, B. Aradi, and T. Frauenheim, Phys. Rev. B 83, 155207 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.155207
    • (2011) Phys. Rev. B , vol.83 , pp. 155207
    • Deák, P.1    Aradi, B.2    Frauenheim, T.3
  • 41
    • 84870170475 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.86.195206
    • P. Deák, B. Aradi, and T. Frauenheim, Phys. Rev. B 86, 195206 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.195206
    • (2012) Phys. Rev. B , vol.86 , pp. 195206
    • Deák, P.1    Aradi, B.2    Frauenheim, T.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.