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Electronic Structure of p-Type La1-xMx2+MnO3 Manganites in the Ferromagnetic and Paramagnetic Phases in the LDA plus GTB Approach / V. A. Gavrichkov [et al.] // J. Exp. Theor. Phys. - 2011. - Vol. 112, Is. 5. - P. 860-876, DOI 10.1134/S1063776111030101. - Cited References: 47. - This study was supported financially by integration project no. 40 of the Ural and Siberian Branches of the Russian Academy of Sciences, the program "Strong Electron Correlations" of the Russian Academy of Sciences, and the Russian Foundation for Basic Research (project no. 10-02-00251-a).
. - ISSN 1063-7761РУБ Physics, Multidisciplinary
Рубрики:
DOUBLE-EXCHANGE
COLOSSAL MAGNETORESISTANCE
THIN-FILMS
PHYSICS
LA1-XSRXMNO3
RESISTIVITY
SEPARATION
TRANSPORT
MODEL
Кл.слова (ненормированные):
Complex structure -- Cubic materials -- Ferromagnetic phase -- Half metals -- Jahn Teller effect -- Metal properties -- Metal types -- Orbitals -- P-type -- Paramagnetic phase -- Paramagnetic phasis -- Quasi particles -- Spectral intensity -- Spin projections -- Strong electron correlations -- Barium -- Density functional theory -- Electron correlations -- Electron density measurement -- Electronic properties -- Electronic structure -- Fermi level -- Ferromagnetic materials -- Ferromagnetism -- Manganese oxide -- Manganites -- Paramagnetic materials -- Paramagnetism -- Valence bands -- Lanthanum
Аннотация: The band structure, spectral intensity, and position of the Fermi level in doped p-type La1-xMx2+ MnO3 manganites (M = Sr, Ca, Ba) is analyzed using the LDA + GBT method for calculating the electronic structure of systems with strong electron correlations, taking into account antiferro-orbital ordering and using the Kugel-Khomskii ideas and real spin S = 2. The results of the ferromagnetic phase reproduce the state of a spin half-metal with 100% spin polarization at T = 0, when the spectrum is of the metal type for a quasiparticle with one spin projection and of the dielectric type for the other. It is found that the valence band becomes approximately three times narrower upon a transition to the paramagnetic phase. For the paramagnetic phase, metal properties are observed because the Fermi level is located in the valence band for any nonzero x. The dielectrization effect at the Curie temperature is possible and must be accompanied by filling of d(x) orbitals upon doping. The effect itself is associated with strong electron correlations, and a complex structure of the top of the valence band is due to the Jahn-Teller effect in cubic materials. DOI: 10.1134/S1063776111030101
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Публикация на русском языке Электронная структура манганитов La[1-x]M[x]2+MnO[3] p-типа в ферромагнитной и парамагнитной фазах в рамках LDA+GTB-подхода [Текст] / В. А. Гавричков [и др.] // Журнал экспериментальной и теоретической физики. - 2011. - Т. 139 Вып. 5. - С. 983-1000
Держатели документа:
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Nekrasov, I. A.] Russian Acad Sci, Ural Branch, Inst Electrophys, Ekaterinburg 620016, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Ural Branch, Inst Met Phys, Ekaterinburg 620990, Russia
ИФ СО РАН
Siberian Branch, Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Ural Branch, Institute of Electrophysics, Russian Academy of Sciences, Yekaterinburg, 620016, Russian Federation
Ural Branch, Institute of Metal Physics, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation
Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.
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