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Volumn 84, Issue 24, 2011, Pages

First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB ′O 3 solid solutions

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EID: 84855424258     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.245206     Document Type: Article
Times cited : (27)

References (29)
  • 1
    • 0031211577 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.365983
    • S.-E. Park and T. R. Shrout, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.365983 82, 1804 (1997).
    • (1997) J. Appl. Phys. , vol.82 , pp. 1804
    • Park, S.-E.1    Shrout, T.R.2
  • 2
    • 33847206105 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.1129564
    • J. F. Scott, Science SCIEAS 0036-8075 10.1126/science.1129564 315, 954 (2007).
    • (2007) Science , vol.315 , pp. 954
    • Scott, J.F.1
  • 4
    • 0001473005 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.126786
    • J. F. Scott and M. Dawber, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.126786 76, 3801 (2000).
    • (2000) Appl. Phys. Lett. , vol.76 , pp. 3801
    • Scott, J.F.1    Dawber, M.2
  • 5
    • 0001108933 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.125938
    • M. Dawber and J. F. Scott, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.125938 76, 1060 (2000).
    • (2000) Appl. Phys. Lett. , vol.76 , pp. 1060
    • Dawber, M.1    Scott, J.F.2
  • 9
    • 78650376368 scopus 로고    scopus 로고
    • PPCPFQ 1463-9076 10.1039/b918782k
    • R. A. Eichel, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b918782k 13, 368 (2011).
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 368
    • Eichel, R.A.1
  • 10
    • 51149120988 scopus 로고    scopus 로고
    • JACTAW 0002-7820 10.1111/j.1551-2916.2008.02552.x
    • X. Zhao, W. Qu, and X. Tan, J. Am. Ceram. Soc. JACTAW 0002-7820 10.1111/j.1551-2916.2008.02552.x 91, 3031 (2008).
    • (2008) J. Am. Ceram. Soc. , vol.91 , pp. 3031
    • Zhao, X.1    Qu, W.2    Tan, X.3
  • 11
    • 65149090955 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.79.144101
    • X. Zhao, W. Qu, X. Tan, A. A. Bokov, and Z.-G. Ye, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.144101 79, 144101 (2009).
    • (2009) Phys. Rev. B , vol.79 , pp. 144101
    • Zhao, X.1    Qu, W.2    Tan, X.3    Bokov, A.A.4    Ye, Z.-G.5
  • 12
    • 79961145251 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.224108
    • T. Qi, I. Grinberg, and A. M. Rappe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.224108 83, 224108 (2011).
    • (2011) Phys. Rev. B , vol.83 , pp. 224108
    • Qi, T.1    Grinberg, I.2    Rappe, A.M.3
  • 13
    • 70349568754 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
    • P. Giannozzi, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
    • (2009) J. Phys. Condens. Matter , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 14
    • 84944648082 scopus 로고
    • ACACBN 0567-7394 10.1107/S0567739476001551
    • R. D. Shannon, Acta Crystallogr. Sect. A ACACBN 0567-7394 10.1107/S0567739476001551 32, 751 (1976).
    • (1976) Acta Crystallogr. Sect. A , vol.32 , pp. 751
    • Shannon, R.D.1
  • 16
    • 0001666575 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.12471
    • N. J. Ramer and A. M. Rappe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.12471 59, 12471 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 12471
    • Ramer, N.J.1    Rappe, A.M.2
  • 17
    • 84855464880 scopus 로고    scopus 로고
    • [http://opium.sourceforge.net].
  • 18
    • 33645608533 scopus 로고
    • JPSOAW 0022-3719 10.1088/0022-3719/12/21/009
    • J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/21/009 12, 4409 (1979).
    • (1979) J. Phys. C , vol.12 , pp. 4409
    • Ihm, J.1    Zunger, A.2    Cohen, M.L.3
  • 19
    • 26144450583 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 20
    • 1842816907 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 21
    • 16444378435 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1747632
    • P.-O. Löwdin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1747632 18, 365 (1950).
    • (1950) J. Chem. Phys. , vol.18 , pp. 365
    • Löwdin, P.-O.1
  • 23
    • 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
  • 24
    • 0000951886 scopus 로고    scopus 로고
    • COSSFX 1359-0286 10.1016/S1359-0286(00)00002-4
    • P. K. Davies, Curr. Opin. Solid State Mater. Sci. COSSFX 1359-0286 10.1016/S1359-0286(00)00002-4 4, 467 (1999).
    • (1999) Curr. Opin. Solid State Mater. Sci. , vol.4 , pp. 467
    • Davies, P.K.1
  • 25
    • 27844480683 scopus 로고    scopus 로고
    • Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations
    • DOI 10.1063/1.2128049, 094111
    • I. Grinberg, M. R. Suchomel, P. K. Davies, and A. M. Rappe, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2128049 98, 094111 (2005). (Pubitemid 41653741)
    • (2005) Journal of Applied Physics , vol.98 , Issue.9 , pp. 1-10
    • Grinberg, I.1    Suchomel, M.R.2    Davies, P.K.3    Rappe, A.M.4
  • 27
    • 33846478809 scopus 로고    scopus 로고
    • Nonmonotonic TC trends in Bi-based ferroelectric perovskite solid solutions
    • DOI 10.1103/PhysRevLett.98.037603
    • I. Grinberg and A. M. Rappe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.98.037603 98, 037603 (2007). (Pubitemid 46156843)
    • (2007) Physical Review Letters , vol.98 , Issue.3 , pp. 037603
    • Grinberg, I.1    Rappe, A.M.2
  • 29
    • 0000754368 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.52.12559
    • D. J. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.12559 52, 12559 (1995).
    • (1995) Phys. Rev. B , vol.52 , pp. 12559
    • Singh, D.J.1


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