메뉴 건너뛰기




Volumn 88, Issue 9, 2013, Pages

Origin of giant spin-lattice coupling and the suppression of ferroelectricity in EuTiO3 from first principles

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84884853067     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.094103     Document Type: Article
Times cited : (54)

References (73)
  • 3
    • 84859104455 scopus 로고    scopus 로고
    • ACMAFD 1359-6454 10.1016/j.actamat.2011.12.024
    • L. W. Martin and R. Ramesh, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2011.12.024 60, 2449 (2012).
    • (2012) Acta Mater. , vol.60 , pp. 2449
    • Martin, L.W.1    Ramesh, R.2
  • 5
    • 4143089644 scopus 로고
    • SCIEAS 0036-8075 10.1126/science.261.5119.307
    • M. Cohen, Science SCIEAS 0036-8075 10.1126/science.261.5119.307 261, 307 (1993).
    • (1993) Science , vol.261 , pp. 307
    • Cohen, M.1
  • 6
    • 0033523962 scopus 로고    scopus 로고
    • The inverse band-structure problem of finding an atomic configuration with given electronic properties
    • DOI 10.1038/46995
    • A. Franceschetti and A. Zunger, Nature (London) NATUAS 0028-0836 10.1038/46995 402, 60 (1999). (Pubitemid 29533512)
    • (1999) Nature , vol.402 , Issue.6757 , pp. 60-63
    • Franceschetti, A.1    Zunger, A.2
  • 7
    • 0344873237 scopus 로고    scopus 로고
    • JSSCBI 0022-4596 10.1016/j.jssc.2003.07.001
    • N. A. Spaldin and W. E. Pickett, J. Solid State Chem. JSSCBI 0022-4596 10.1016/j.jssc.2003.07.001 176, 615 (2003).
    • (2003) J. Solid State Chem. , vol.176 , pp. 615
    • Spaldin, N.A.1    Pickett, W.E.2
  • 8
    • 33749473337 scopus 로고    scopus 로고
    • MRSBEA 0883-7694 10.1557/mrs2006.174
    • J. Hafner, C. Wolverton, and G. Ceder, MRS Bull. MRSBEA 0883-7694 10.1557/mrs2006.174 31, 659 (2006).
    • (2006) MRS Bull. , vol.31 , pp. 659
    • Hafner, J.1    Wolverton, C.2    Ceder, G.3
  • 9
    • 79952410417 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.107204
    • N. A. Benedek and C. J. Fennie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.107204 106, 107204 (2011).
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 107204
    • Benedek, N.A.1    Fennie, C.J.2
  • 10
    • 80155123794 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.107.197603
    • E. Bousquet and N. Spaldin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.197603 107, 197603 (2011).
    • (2011) Phys. Rev. Lett. , vol.107 , pp. 197603
    • Bousquet, E.1    Spaldin, N.2
  • 12
    • 84864567486 scopus 로고    scopus 로고
    • 1434-6028 10.1140/epjb/e2012-30124-1
    • S. Picozzi and A. Stroppa, Eur. Phys. J. B 1434-6028 10.1140/epjb/e2012- 30124-1 85, 1 (2012).
    • (2012) Eur. Phys. J. B , vol.85 , pp. 1
    • Picozzi, S.1    Stroppa, A.2
  • 13
    • 84872940319 scopus 로고    scopus 로고
    • EULEEJ 0295-5075 10.1209/0295-5075/101/27002
    • Z. P. Yin and G. Kotliar, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/101/27002 101, 27002 (2013).
    • (2013) Europhys. Lett. , vol.101 , pp. 27002
    • Yin, Z.P.1    Kotliar, G.2
  • 14
    • 77953103477 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.104.207204
    • J. H. Lee and K. M. Rabe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.207204 104, 207204 (2010).
    • (2010) Phys. Rev. Lett. , vol.104 , pp. 207204
    • Lee, J.H.1    Rabe, K.M.2
  • 15
    • 79961192577 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.107.067601
    • J. H. Lee and K. M. Rabe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.067601 107, 067601 (2011).
    • (2011) Phys. Rev. Lett. , vol.107 , pp. 067601
    • Lee, J.H.1    Rabe, K.M.2
  • 19
    • 0035424020 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.64.054415
    • T. Katsufuji and H. Takagi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.054415 64, 054415 (2001).
    • (2001) Phys. Rev. B , vol.64 , pp. 054415
    • Katsufuji, T.1    Takagi, H.2
  • 20
    • 80053584885 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.84.104440
    • J. H. Lee and K. M. Rabe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.104440 84, 104440 (2011).
    • (2011) Phys. Rev. B , vol.84 , pp. 104440
    • Lee, J.H.1    Rabe, K.M.2
  • 22
    • 33846340490 scopus 로고    scopus 로고
    • Magnetic and electric phase control in epitaxial EuTiO3 from first principles
    • DOI 10.1103/PhysRevLett.97.267602
    • C. J. Fennie and K. M. Rabe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.267602 97, 267602 (2006). (Pubitemid 46135015)
    • (2006) Physical Review Letters , vol.97 , Issue.26 , pp. 267602
    • Fennie, C.J.1    Rabe, K.M.2
  • 23
    • 34648814110 scopus 로고    scopus 로고
    • 3: A first-principles study
    • DOI 10.1088/0953-8984/19/40/406217, PII S0953898407549647
    • R. Ranjan, H. S. Nabi, and R. Pentcheva, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/40/406217 19, 406217 (2007). (Pubitemid 47457979)
    • (2007) Journal of Physics Condensed Matter , vol.19 , Issue.40 , pp. 406217
    • Ranjan, R.1    Sadat Nabi, H.2    Pentcheva, R.3
  • 26
    • 0000161205 scopus 로고    scopus 로고
    • ACACEQ 0108-7673 10.1107/S010876739800912X
    • R. E. Newnham, Acta Crystallogr., Sect. A ACACEQ 0108-7673 10.1107/S010876739800912X 54, 729 (1998).
    • (1998) Acta Crystallogr., Sect. A , vol.54 , pp. 729
    • Newnham, R.E.1
  • 27
    • 33644546389 scopus 로고    scopus 로고
    • Critical features of colossal magnetoresistive manganites
    • DOI 10.1088/0034-4885/69/3/R06, PII S0034488506315722
    • Y. Tokura, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/69/3/R06 69, 797 (2006). (Pubitemid 43306358)
    • (2006) Reports on Progress in Physics , vol.69 , Issue.3 , pp. 797-851
    • Tokura, Y.1
  • 33
    • 84871808306 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.109.267602
    • Y. Yang, W. Ren, D. Wang, and L. Bellaiche, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.109.267602 109, 267602 (2012).
    • (2012) Phys. Rev. Lett. , vol.109 , pp. 267602
    • Yang, Y.1    Ren, W.2    Wang, D.3    Bellaiche, L.4
  • 37
    • 0000618539 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.19.3593
    • K. A. Müller and H. Burkard, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.19.3593 19, 3593 (1979).
    • (1979) Phys. Rev. B , vol.19 , pp. 3593
    • Müller, K.A.1    Burkard, H.2
  • 38
    • 0001217845 scopus 로고
    • JPCSAW 0022-3697 10.1016/0022-3697(59)90226-4
    • H. Weaver, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(59) 90226-4 11, 274 (1959).
    • (1959) J. Phys. Chem. Solids , vol.11 , pp. 274
    • Weaver, H.1
  • 39
    • 0000548125 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.53.5047
    • W. Zhong and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.53.5047 53, 5047 (1996).
    • (1996) Phys. Rev. B , vol.53 , pp. 5047
    • Zhong, W.1    Vanderbilt, D.2
  • 40
    • 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
  • 41
    • 25744460922 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 42
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 43
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 44
    • 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. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 47
    • 84884830026 scopus 로고    scopus 로고
    • ISOTROPY Software Suite
    • H. Stokes, D. Hatch, and B. Campbell, ISOTROPY Software Suite, http://stokes.byu.edu/isotropy.html.
    • Stokes, H.1    Hatch, D.2    Campbell, B.3
  • 52
    • 43749120253 scopus 로고    scopus 로고
    • VESTA: A three-dimensional visualization system for electronic and structural analysis
    • DOI 10.1107/S0021889808012016, PII S0021889808012016
    • K. Momma and F. Izumi, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/S0021889808012016 41, 653 (2008). (Pubitemid 351693898)
    • (2008) Journal of Applied Crystallography , vol.41 , Issue.3 , pp. 653-658
    • Momma, K.1    Izumi, F.2
  • 58
    • 4243864389 scopus 로고
    • JPCSAW 0022-3697 10.1016/0022-3697(62)90084-7
    • W. Cochran and R. A. Cowley, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(62)90084-7 23, 447 (1962).
    • (1962) J. Phys. Chem. Solids , vol.23 , pp. 447
    • Cochran, W.1    Cowley, R.A.2
  • 59
    • 0018156418 scopus 로고
    • FEROA8 0015-0193 10.1080/00150197808237842
    • I. B. Bersuker and B. G. Vekhter, Ferroelectrics FEROA8 0015-0193 10.1080/00150197808237842 19, 137 (1978).
    • (1978) Ferroelectrics , vol.19 , pp. 137
    • Bersuker, I.B.1    Vekhter, B.G.2
  • 60
    • 0027115880 scopus 로고
    • Origin of ferroelectricity in perovskite oxides
    • DOI 10.1038/358136a0
    • R. E. Cohen, Nature (London) NATUAS 0028-0836 10.1038/358136a0 358, 136 (1992). (Pubitemid 23571205)
    • (1992) Nature , vol.358 , Issue.6382 , pp. 136-138
    • Cohen Ronald, E.1
  • 62
    • 84859300157 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.108.137202
    • I. B. Bersuker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 108.137202 108, 137202 (2012).
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 137202
    • Bersuker, I.B.1
  • 63
  • 65
    • 33747874266 scopus 로고    scopus 로고
    • Multiferroics: Different ways to combine magnetism and ferroelectricity
    • DOI 10.1016/j.jmmm.2006.01.238, PII S0304885306004239
    • D. I. Khomskii, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/j.jmmm.2006.01.238 306, 1 (2006). (Pubitemid 44291919)
    • (2006) Journal of Magnetism and Magnetic Materials , vol.306 , Issue.1 , pp. 1-8
    • Khomskii, D.I.1
  • 66
    • 0034229229 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp000114x
    • N. Hill, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp000114x 104, 6694 (2000).
    • (2000) J. Phys. Chem. B , vol.104 , pp. 6694
    • Hill, N.1
  • 68
    • 63149144537 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.102.117602
    • S. Bhattacharjee, E. Bousquet, and P. Ghosez, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.117602 102, 117602 (2009).
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 117602
    • Bhattacharjee, S.1    Bousquet, E.2    Ghosez, P.3
  • 71
    • 0345877774 scopus 로고    scopus 로고
    • ASBSDK 0108-7681 10.1107/S0108768196012050
    • P. M. Woodward, Acta Crystallogr., Sect. B ASBSDK 0108-7681 10.1107/S0108768196012050 53, 44 (1997).
    • (1997) Acta Crystallogr., Sect. B , vol.53 , pp. 44
    • Woodward, P.M.1
  • 72
  • 73
    • 53849145025 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.104116
    • R. Wahl, D. Vogtenhuber, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.104116 78, 104116 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 104116
    • Wahl, R.1    Vogtenhuber, D.2    Kresse, G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.