메뉴 건너뛰기




Volumn 112, Issue 18, 2014, Pages

Inversion symmetry breaking by oxygen octahedral rotations in the ruddlesden-popper NaRTiO4 family

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; OXYGEN; SCANNING PROBE MICROSCOPY; X RAY DIFFRACTION;

EID: 84899931735     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.112.187602     Document Type: Article
Times cited : (68)

References (63)
  • 1
    • 0034229229 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp000114x
    • N.A. Hill, J. Phys. Chem. B 104, 6694 (2000). JPCBFK 1520-6106 10.1021/jp000114x
    • (2000) J. Phys. Chem. B , vol.104 , pp. 6694
    • Hill, N.A.1
  • 2
    • 84879809505 scopus 로고    scopus 로고
    • JPCCCK 1932-7447 10.1021/jp402046t
    • N.A. Benedek and C.J. Fennie, J. Phys. Chem. C 117, 13339 (2013). JPCCCK 1932-7447 10.1021/jp402046t
    • (2013) J. Phys. Chem. C , vol.117 , pp. 13339
    • Benedek, N.A.1    Fennie, C.J.2
  • 3
    • 84859300157 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.108.137202
    • I.B. Bersuker, Phys. Rev. Lett. 108, 137202 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.137202
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 137202
    • Bersuker, I.B.1
  • 6
    • 83655191150 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.107.257602
    • T. Birol, N.A. Benedek, and C.J. Fennie, Phys. Rev. Lett. 107, 257602 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.257602
    • (2011) Phys. Rev. Lett. , vol.107 , pp. 257602
    • Birol, T.1    Benedek, N.A.2    Fennie, C.J.3
  • 7
    • 84886947222 scopus 로고    scopus 로고
    • NATUAS 0028-0836 10.1038/nature12582
    • C.-H. Lee, Nature (London) 502, 532 (2013). NATUAS 0028-0836 10.1038/nature12582
    • (2013) Nature (London) , vol.502 , pp. 532
    • Lee, C.-H.1
  • 10
    • 79952410417 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.107204
    • N.A. Benedek and C.J. Fennie, Phys. Rev. Lett. 106, 107204 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.107204
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 107204
    • Benedek, N.A.1    Fennie, C.J.2
  • 12
    • 84859700723 scopus 로고    scopus 로고
    • ADVMEW 0935-9648 10.1002/adma.201104674
    • J.M. Rondinelli and C.J. Fennie, Adv. Mater. 24, 1961 (2012). ADVMEW 0935-9648 10.1002/adma.201104674
    • (2012) Adv. Mater. , vol.24 , pp. 1961
    • Rondinelli, J.M.1    Fennie, C.J.2
  • 16
    • 0000154293 scopus 로고
    • ACBCAR 0567-7408 10.1107/S0567740872007976
    • A.M. Glazer, Acta Crystallogr. Sect. B 28, 3384 (1972). ACBCAR 0567-7408 10.1107/S0567740872007976
    • (1972) Acta Crystallogr. Sect. B , vol.28 , pp. 3384
    • Glazer, A.M.1
  • 17
    • 80052395346 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.84.075121
    • J. López-Pérez and J. Íñiguez, Phys. Rev. B 84, 075121 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.075121
    • (2011) Phys. Rev. B , vol.84 , pp. 075121
    • López-Pérez, J.1    Íñiguez, J.2
  • 18
    • 0036228335 scopus 로고    scopus 로고
    • CMATEX 0897-4756 10.1021/cm010689m
    • R.E. Schaak and T.E. Mallouk, Chem. Mater. 14, 1455 (2002). CMATEX 0897-4756 10.1021/cm010689m
    • (2002) Chem. Mater. , vol.14 , pp. 1455
    • Schaak, R.E.1    Mallouk, T.E.2
  • 19
    • 84888607829 scopus 로고    scopus 로고
    • CMATEX 0897-4756 10.1021/cm402550q
    • J. Young and J.M. Rondinelli, Chem. Mater. 25, 4545 (2013). CMATEX 0897-4756 10.1021/cm402550q
    • (2013) Chem. Mater. , vol.25 , pp. 4545
    • Young, J.1    Rondinelli, J.M.2
  • 26
    • 0042577131 scopus 로고
    • JINCAO 0022-1902 10.1016/0022-1902(68)80491-9
    • G. Blasse, J. Inorg. Nucl. Chem. 30, 656 (1968). JINCAO 0022-1902 10.1016/0022-1902(68)80491-9
    • (1968) J. Inorg. Nucl. Chem. , vol.30 , pp. 656
    • Blasse, G.1
  • 27
    • 0029404144 scopus 로고
    • SSIOD3 0167-2738 10.1016/0167-2738(95)00184-8
    • K. Toda, S. Kurita, and M. Sato, Solid State Ionics 81, 267 (1995). SSIOD3 0167-2738 10.1016/0167-2738(95)00184-8
    • (1995) Solid State Ionics , vol.81 , pp. 267
    • Toda, K.1    Kurita, S.2    Sato, M.3
  • 28
    • 0030082181 scopus 로고    scopus 로고
    • JCSJEW 0914-5400 10.2109/jcersj.104.140
    • K. Toda, S. Kurita, and M. Sato, J. Ceram. Soc. Jpn. 104, 140 (1996). JCSJEW 0914-5400 10.2109/jcersj.104.140
    • (1996) J. Ceram. Soc. Jpn. , vol.104 , pp. 140
    • Toda, K.1    Kurita, S.2    Sato, M.3
  • 33
    • 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
  • 34
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 35
    • 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
  • 36
    • 4944232881 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
    • J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 38
    • 35949007146 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.48.13115
    • G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.48.13115
    • (1993) Phys. Rev. B , vol.48 , pp. 13115
    • Kresse, G.1    Hafner, J.2
  • 39
    • 12844286241 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 40
    • 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
  • 41
    • 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
  • 42
    • 55149100594 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.134106
    • A. Togo, F. Oba, and I. Tanaka, Phys. Rev. B 78, 134106 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.134106
    • (2008) Phys. Rev. B , vol.78 , pp. 134106
    • Togo, A.1    Oba, F.2    Tanaka, I.3
  • 43
    • 84877900285 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.87.184104
    • A. Togo and I. Tanaka, Phys. Rev. B 87, 184104 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.184104
    • (2013) Phys. Rev. B , vol.87 , pp. 184104
    • Togo, A.1    Tanaka, I.2
  • 44
    • 84899982184 scopus 로고    scopus 로고
    • See Supplemental Material at, which includes Refs. [58-64].
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.112.187602, which includes Refs. [58-64].
  • 46
    • 84944648082 scopus 로고
    • ACACBN 0567-7394 10.1107/S0567739476001551
    • R.D. Shannon, Acta Crystallogr. Sect. A 32, 751 (1976). ACACBN 0567-7394 10.1107/S0567739476001551
    • (1976) Acta Crystallogr. Sect. A , vol.32 , pp. 751
    • Shannon, R.D.1
  • 47
    • 84899944288 scopus 로고    scopus 로고
    • Although one might come up with a role for SOJT effects in inversion symmetry breaking because this series is titanates, the displacements of Ti ions make a small contribution to the distortion corresponding to the (Equation presented) mode, in sharp contrast to the zone-center polar modes driven by the SOJT effects in ferroelectric titanates such as (Equation presented).
    • Although one might come up with a role for SOJT effects in inversion symmetry breaking because this series is titanates, the displacements of Ti ions make a small contribution to the distortion corresponding to the (Equation presented) mode, in sharp contrast to the zone-center polar modes driven by the SOJT effects in ferroelectric titanates such as (Equation presented).
  • 50
    • 35348909150 scopus 로고    scopus 로고
    • SSPOC3 1662-9779 10.4028/www.scientific.net/SSP.130.15
    • F. Izumi and K. Momma, Solid State Phenom. 130, 15 (2007). SSPOC3 1662-9779 10.4028/www.scientific.net/SSP.130.15
    • (2007) Solid State Phenom. , vol.130 , pp. 15
    • Izumi, F.1    Momma, K.2
  • 51
    • 84899978265 scopus 로고    scopus 로고
    • In the previous reports [28], the tetragonal (Equation presented) space group has not been proposed, likely because the cell doubling was considered as a tetragonal-to-orthorhombic phase transition.
    • In the previous reports [28], the tetragonal (Equation presented) space group has not been proposed, likely because the cell doubling was considered as a tetragonal-to-orthorhombic phase transition.
  • 56
    • 27144484846 scopus 로고    scopus 로고
    • Pressure-induced anomalous phase transitions and colossal enhancement of piezoelectricity in PbTiO3
    • DOI 10.1103/PhysRevLett.95.037601, 037601
    • Z. Wu and R.E. Cohen, Phys. Rev. Lett. 95, 037601 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.037601 (Pubitemid 41506300)
    • (2005) Physical Review Letters , vol.95 , Issue.3 , pp. 1-4
    • Wu, Z.1    Cohen, R.E.2
  • 58
    • 1842816907 scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
    • H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976). PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 61


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.