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
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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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.