메뉴 건너뛰기




Volumn 73, Issue 12, 2006, Pages

First-principles study of native defects in anatase Ti O2

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33645453537     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.125205     Document Type: Article
Times cited : (383)

References (31)
  • 3
    • 18244398947 scopus 로고    scopus 로고
    • THEODJ 0166-1280
    • Q. Chen and H.-H. Cao, THEOCHEM THEODJ 0166-1280 723, 135 (2005).
    • (2005) THEOCHEM , vol.723 , pp. 135
    • Chen, Q.1    Cao, H.-H.2
  • 5
    • 1442350656 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.69.035207
    • S. Limpijumnong and C. G. Van de Walle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.035207 69, 035207 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 035207
    • Limpijumnong, S.1    Van De Walle, C.G.2
  • 6
    • 5644231961 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.8067
    • J. Neugebauer and C. G. Van de Walle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.8067 50, R8067 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 8067
    • Neugebauer, J.1    Van De Walle, C.G.2
  • 9
    • 20544463457 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
    • D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 10
    • 0030190741 scopus 로고    scopus 로고
    • CMMSEM. 0927-0256. 10.1016/0927-0256(96)00008-0
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller, J.2
  • 12
    • 33744629963 scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.47.11717
    • A. Fahmi, C. Minot, B. Silvi, and M. Causá, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.11717 47, 11717 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 11717
    • Fahmi, A.1    Minot, C.2    Silvi, B.3    Causá, M.4
  • 15
    • 12044249420 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
    • S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339 67, 2339 (1991);
    • (1991) Phys. Rev. Lett. , vol.67 , pp. 2339
    • Zhang, S.B.1    Northrup, J.E.2
  • 16
    • 30244446158 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.4962
    • J. E. Northrup and S. B. Zhang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.4962 50, 4962 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 4962
    • Northrup, J.E.1    Zhang, S.B.2
  • 17
    • 0010059052 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.63.075205
    • S. B. Zhang, S.-H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.075205 63, 075205 (2001).
    • (2001) Phys. Rev. B , vol.63 , pp. 075205
    • Zhang, S.B.1    Wei, S.-H.2    Zunger, A.3
  • 18
    • 0037009055 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/14/34/201
    • S. B. Zhang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/34/201 14, R881 (2002).
    • (2002) J. Phys.: Condens. Matter , vol.14 , pp. 881
    • Zhang, S.B.1
  • 20
    • 4243274489 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.124.1719
    • R. A. Parker, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.124.1719 124, 1719 (1961).
    • (1961) Phys. Rev. , vol.124 , pp. 1719
    • Parker, R.A.1
  • 21
    • 0001671054 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
    • G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4014 51, 4014 (1995).
    • (1995) Phys. Rev. B , vol.51 , pp. 4014
    • Makov, G.1    Payne, M.C.2
  • 22
    • 0037764081 scopus 로고    scopus 로고
    • The reported stable charge states of +1 and 0 for VO [PRBMDO 0163-1829 10.1103/PhysRevB.67.144415
    • The reported stable charge states of +1 and 0 for VO [J. M. Sullivan and S. C. Erwin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.144415 67, 144415 (2003)] are probably due to electron filling of the conduction-band edge states rather than the actual defect states, because their calculated transition levels are >2.6 eV above the VBM and are hence above our calculated CBM (they have used a very similar calculation method to ours).
    • (2003) Phys. Rev. B , vol.67 , pp. 144415
    • Sullivan, J.M.1    Erwin, S.C.2
  • 24
    • 0037017949 scopus 로고    scopus 로고
    • PRLTAO. 0031-9007. 10.1103/PhysRevLett.88.095501
    • C. Kiliç and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.095501 88, 095501 (2002).
    • (2002) Phys. Rev. Lett. , vol.88 , pp. 095501
    • Kiliç, C.1    Zunger, A.2
  • 27
    • 0001409534 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.48.12406
    • M. Aono and R. R. Hasiguti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.12406 48, 12406 (1993);
    • (1993) Phys. Rev. B , vol.48 , pp. 12406
    • Aono, M.1    Hasiguti, R.R.2
  • 28
    • 25344438007 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.49.7251
    • R. R. Hasiguti and E. Yagi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.7251 49, 7251 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 7251
    • Hasiguti, R.R.1    Yagi, E.2
  • 29
    • 0021977923 scopus 로고
    • JPCSAW 0022-3697 10.1016/0022-3697(85)90129-5
    • J. Sasaki, N. L. Peterson, and K. Hoshino, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(85)90129-5 46, 1267 (1985), and references therein.
    • (1985) J. Phys. Chem. Solids , vol.46 , pp. 1267
    • Sasaki, J.1    Peterson, N.L.2    Hoshino, K.3
  • 31
    • 0037764081 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.67.144415
    • J. M. Sullivan and S. C. Erwin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.144415 67, 144415 (2003).
    • (2003) Phys. Rev. B , vol.67 , pp. 144415
    • Sullivan, J.M.1    Erwin, S.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.