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Volumn 88, Issue 2-3, 2003, Pages 257-261

Structure, metal-insulator transitions, and magnetic properties of FeO at high pressures

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EQUATIONS OF STATE; GROUND STATE; IRON OXIDES; LOCAL DENSITY APPROXIMATION; MAGNETISM; METAL INSULATOR BOUNDARIES; METALS; SEMICONDUCTOR INSULATOR BOUNDARIES;

EID: 0037293356     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-2003-2-301     Document Type: Article
Times cited : (76)

References (46)
  • 1
    • 0001437693 scopus 로고
    • Band theory and Mott insulators: Hubbard U instead of stoner I
    • Anisimov, V.I., Zaanen, J., and Andersen, O.K. (1991) Band theory and Mott insulators: Hubbard U instead of Stoner I. Physical Review, B44, 943-954.
    • (1991) Physical Review , vol.44 B , pp. 943-954
    • Anisimov, V.I.1    Zaanen, J.2    Andersen, O.K.3
  • 2
    • 0012842779 scopus 로고    scopus 로고
    • First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method
    • Anisimov, V.I., Aryasetiawan, F., and Lichtenstein, A.I. (1997) First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+U method. Journal of Physics C, 9, 767-808.
    • (1997) Journal of Physics C , vol.9 , pp. 767-808
    • Anisimov, V.I.1    Aryasetiawan, F.2    Lichtenstein, A.I.3
  • 6
    • 25044437775 scopus 로고
    • Improved tetrahedron method for Brillouin-zone integrations
    • Blöchl, P., Jepsen, O., and Andersen, O.K. (1994) Improved tetrahedron method for Brillouin-zone integrations. Physical Review. B49, 16223-16233.
    • (1994) Physical Review , vol.49 B , pp. 16223-16233
    • Blöchl, P.1    Jepsen, O.2    Andersen, O.K.3
  • 9
    • 3442898661 scopus 로고    scopus 로고
    • Dynamical mean field theory of the antiferromagnetic metal-antiferromagnetic insulator transition
    • Chitra, R. and Kotliar, G. (1999) Dynamical mean field theory of the antiferromagnetic metal-antiferromagnetic insulator transition. Physical Review Letters, 83, 2386-2389.
    • (1999) Physical Review Letters , vol.83 , pp. 2386-2389
    • Chitra, R.1    Kotliar, G.2
  • 10
    • 0012252927 scopus 로고    scopus 로고
    • Bonding and electronic structure in minerals
    • K. Wright and R. Catlow, Eds., Kluwer Academic Publishers, Amsterdam
    • Cohen, R.E. (1999) Bonding and Electronic Structure in Minerals. In K. Wright and R. Catlow, Eds., Microscopic Properties and Processes in Minerals, pp. 201-264. Kluwer Academic Publishers, Amsterdam.
    • (1999) Microscopic Properties and Processes in Minerals , pp. 201-264
    • Cohen, R.E.1
  • 11
    • 0030621135 scopus 로고    scopus 로고
    • Magnetic collapse in transition metal oxides at high pressure: Implications for the Earth
    • Cohen, R.E., Mazin, I.I., and Isaak, D.G. (1997) Magnetic collapse in transition metal oxides at high pressure: implications for the Earth. Science, 275, 654-657.
    • (1997) Science , vol.275 , pp. 654-657
    • Cohen, R.E.1    Mazin, I.I.2    Isaak, D.G.3
  • 12
    • 0032315286 scopus 로고    scopus 로고
    • Magnetic collapse and the behavior of transition metal oxides: FeO at high pressure
    • R. Wentzcovitch, R.J. Hemley, R.J. Nellis, and P. Yu, Eds., Materials Research Society, Pittsburgh
    • Cohen, R.E., Fei, Y., Downs, R., Mazin, I.I., and Isaak, D.G. (1998) Magnetic collapse and the behavior of transition metal oxides: FeO at high pressure. In R. Wentzcovitch, R.J. Hemley, R.J. Nellis, and P. Yu, Eds., High-Pressure Materials Research, Materials Research Society Symposium Proceedings, 499, 27-37. Materials Research Society, Pittsburgh.
    • (1998) High-Pressure Materials Research, Materials Research Society Symposium Proceedings , vol.499 , pp. 27-37
    • Cohen, R.E.1    Fei, Y.2    Downs, R.3    Mazin, I.I.4    Isaak, D.G.5
  • 14
    • 4143115975 scopus 로고    scopus 로고
    • Inverse versus normal NiAs structures as high pressure phases of FeO and MnO
    • Fang, Z., Terakura, K., Sawada, H., Miyazaki, T., and Solovyev, I.V. (1998) Inverse versus normal NiAs structures as high pressure phases of FeO and MnO. Physical Review Letters. 81, 1027-1030.
    • (1998) Physical Review Letters , vol.81 , pp. 1027-1030
    • Fang, Z.1    Terakura, K.2    Sawada, H.3    Miyazaki, T.4    Solovyev, I.V.5
  • 15
    • 0000747290 scopus 로고    scopus 로고
    • First-principles study on electronic structures and phase stability of MnO and FeO under high pressure
    • Fang, Z., Solovyev, I.V., Sawada, H., and Terakura, K. (1999) First-principles study on electronic structures and phase stability of MnO and FeO under high pressure. Physical Review B, 59, 762-774.
    • (1999) Physical Review B , vol.59 , pp. 762-774
    • Fang, Z.1    Solovyev, I.V.2    Sawada, H.3    Terakura, K.4
  • 16
    • 0028769664 scopus 로고
    • In-situ determination of the NiAs phase of FeO at high pressure and temperature
    • Fei, Y. and Mao, H.K. (1994) In-situ determination of the NiAs phase of FeO at high pressure and temperature, Science, 266, 1678-1680.
    • (1994) Science , vol.266 , pp. 1678-1680
    • Fei, Y.1    Mao, H.K.2
  • 17
    • 0036128670 scopus 로고    scopus 로고
    • Monoclinic nearly stoichiometric wüstite at low temperatures
    • Fjellvåg, H., Hauback, B., Vogt, T., and Støolen, S. (2002) Monoclinic nearly stoichiometric wüstite at low temperatures. American Mineralogist, 87, 347-349.
    • (2002) American Mineralogist , vol.87 , pp. 347-349
    • Fjellvåg, H.1    Hauback, B.2    Vogt, T.3    Støolen, S.4
  • 18
    • 0030528685 scopus 로고    scopus 로고
    • Dynamical meanfield theory of strongly correlated fermions and the limit of infinite dimensions
    • Georges, A., Kotliar, G., Krauth, W., and Rozenberg, M.J. (1996) Dynamical meanfield theory of strongly correlated fermions and the limit of infinite dimensions. Reviews of Modern Physics, 68, 13-125.
    • (1996) Reviews of Modern Physics , vol.68 , pp. 13-125
    • Georges, A.1    Kotliar, G.2    Krauth, W.3    Rozenberg, M.J.4
  • 19
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg, P. and Kohn, W. (1964) Inhomogeneous electron gas. Physical Review B. 136, 864-871.
    • (1964) Physical Review B , vol.136 , pp. 864-871
    • Hohenberg, P.1    Kohn, W.2
  • 20
    • 0012295924 scopus 로고
    • Phase stability of wüstite from first-principles linearized augmented plane-wave calculations
    • Isaak, D.G., Cohen, R.E., Meht, M.J., and Singh, D.J. (1993) Phase stability of wüstite from first-principles linearized augmented plane-wave calculations. Physical Review B. 47, 7720-7731.
    • (1993) Physical Review B , vol.47 , pp. 7720-7731
    • Isaak, D.G.1    Cohen, R.E.2    Meht, M.J.3    Singh, D.J.4
  • 21
    • 0036117063 scopus 로고    scopus 로고
    • Structure and elasticity of single crystal (Fe,Mg)O and a new method of generating shear waves for gigahertz ultrasonic interferometry
    • DOI 10.1029/2001JB000490
    • Jacobsen, S.D., Reichmann, H.J., Spetzler, H.A., Mackwell, S.J., Smyth, J.R., Angel, R.A., and McCammon, C.A. (2002) Structure and elasticity of single crystal (Fe,Mg)O and a new method of generating shear waves for gigahertz ultrasonic interferometry. Journal of Geophysical Research B 107, DOI 10.1029/2001JB000490. 1-14.
    • (2002) Journal of Geophysical Research B , vol.107 , pp. 1-14
    • Jacobsen, S.D.1    Reichmann, H.J.2    Spetzler, H.A.3    Mackwell, S.J.4    Smyth, J.R.5    Angel, R.A.6    McCammon, C.A.7
  • 22
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn, W. and Sham, L.J. (1965) Self-consistent equations including exchange and correlation effects. Physical Review A. 140, 1133-1138.
    • (1965) Physical Review A , vol.140 , pp. 1133-1138
    • Kohn, W.1    Sham, L.J.2
  • 23
    • 35949006498 scopus 로고
    • Density functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
    • Liechtenstein, A.I., Anisimov, V.I., and Zaanen, J. (1995) Density functional theory and strong interactions: orbital ordering in Mott-Hubbard insulators. Physical Review B, 52, R5467-R5470.
    • (1995) Physical Review B , vol.52
    • Liechtenstein, A.I.1    Anisimov, V.I.2    Zaanen, J.3
  • 25
    • 0001200132 scopus 로고    scopus 로고
    • Insulating gap in FeO: Correlations and covalency
    • Mazin, I.I. and Anisimov, V.I. (1997) Insulating gap in FeO: correlations and covalency. Physical Review B, 55, 12822-12825.
    • (1997) Physical Review B , vol.55 , pp. 12822-12825
    • Mazin, I.I.1    Anisimov, V.I.2
  • 27
    • 0027382608 scopus 로고
    • Effect of pressure on the composition of the lower mantle end-member FeO
    • McCammon, C.A. (1993) Effect of pressure on the composition of the lower mantle end-member FeO. Science, 259, 66-68.
    • (1993) Science , vol.259 , pp. 66-68
    • McCammon, C.A.1
  • 29
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst, H.J. and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B. 13, 5188-5192.
    • (1976) Physical Review B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 32
    • 0002851019 scopus 로고
    • Generalized gradient approximation
    • P. Zeischc and H. Eschrig. Eds. Akademie Verlag, Berlin
    • Perdew, J.P. (1991) Generalized gradient approximation. In P. Zeischc and H. Eschrig. Eds. Electronic Structure of Solids. '91. Akademie Verlag, Berlin.
    • (1991) Electronic Structure of Solids. '91
    • Perdew, J.P.1
  • 33
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J.P., Burke, K., and Emzerhof, M. (1996) Generalized Gradient Approximation made simple. Physical Review Letters, 77, 3865-3868.
    • (1996) Physical Review Letters , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Emzerhof, M.3
  • 34
    • 0000538260 scopus 로고    scopus 로고
    • Reformulation of the LDA+U method for a local orbital basis
    • Pickett, W.E., Erwin, S.C., and Ethridge, E.C. (1998) Reformulation of the LDA+U method for a local orbital basis. Physical Review B, 58, 1201-1209.
    • (1998) Physical Review B , vol.58 , pp. 1201-1209
    • Pickett, W.E.1    Erwin, S.C.2    Ethridge, E.C.3
  • 35
    • 36149016904 scopus 로고
    • Magnetic structures of MnO, FeO, CoO and NiO
    • Roth, W.L. (1958) Magnetic structures of MnO, FeO, CoO and NiO. Physical Review, 110, 1333-1341.
    • (1958) Physical Review , vol.110 , pp. 1333-1341
    • Roth, W.L.1
  • 36
    • 33746330232 scopus 로고
    • Full-potential linear muffin-tin orbital method for calculating total energies and forces
    • Savrasov, S.Y. and Savrasov, D.Y. (1992) Full-potential linear muffin-tin orbital method for calculating total energies and forces. Physical Review B, 46, 12181-12195.
    • (1992) Physical Review B , vol.46 , pp. 12181-12195
    • Savrasov, S.Y.1    Savrasov, D.Y.2
  • 37
    • 0035848894 scopus 로고    scopus 로고
    • Correlated electrons in δ-Pu within a dynamical mean-field picture
    • Savrasov, S.Y., Kotliar, G., and Abrahams, E. (2001) Correlated electrons in δ-Pu within a dynamical mean-field picture. Nature, 410, 793-796.
    • (2001) Nature , vol.410 , pp. 793-796
    • Savrasov, S.Y.1    Kotliar, G.2    Abrahams, E.3
  • 39
    • 0000969612 scopus 로고    scopus 로고
    • Is Hund's second rule responsible for the orbital magnetism in solids?
    • Solovyev, I.V., Lichtenstein, A.I., and Terakura, K. (1998b) Is Hund's second rule responsible for the orbital magnetism in solids? Physical Review Letters, 80, 5758-5761.
    • (1998) Physical Review Letters , vol.80 , pp. 5758-5761
    • Solovyev, I.V.1    Lichtenstein, A.I.2    Terakura, K.3
  • 41
    • 0347581921 scopus 로고
    • Transition metal oxides in the self-interaction-corrected density-functional formalism
    • Svane, A., and Gunnarsson, O. (1990) Transition metal oxides in the self-interaction-corrected density-functional formalism. Physical Review Letter, 65, 1148-1151.
    • (1990) Physical Review Letter , vol.65 , pp. 1148-1151
    • Svane, A.1    Gunnarsson, O.2
  • 42
    • 25044453520 scopus 로고
    • Application of the self-interaction correction to transition metal oxides
    • Szotek, Z., Temmerman, W.M., and Winter, H. (1993) Application of the self-interaction correction to transition metal oxides. Physical Review B, 47, 4029-4032.
    • (1993) Physical Review B , vol.47 , pp. 4029-4032
    • Szotek, Z.1    Temmerman, W.M.2    Winter, H.3
  • 44
    • 0001763238 scopus 로고
    • Change of structure of ferrous oxide at low temperature
    • Willis, B.T.M. and Rooksby, H.P. (1953) Change of structure of ferrous oxide at low temperature. Acta Crystallographica, 6, 827-831.
    • (1953) Acta Crystallographica , vol.6 , pp. 827-831
    • Willis, B.T.M.1    Rooksby, H.P.2
  • 46
    • 4243761984 scopus 로고
    • Band gaps and electronic structure of transition metal compounds
    • Zaanen, J., Sawatzky, G.A., and Allen, J.W. (1985) Band gaps and electronic structure of transition metal compounds. Physical Review Letters, 55, 418-421.
    • (1985) Physical Review Letters , vol.55 , pp. 418-421
    • Zaanen, J.1    Sawatzky, G.A.2    Allen, J.W.3


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