Structure and the electronic and magnetic properties of LaTiO3 / Mozhegorov A. A.,Nikiforov A. E.,Larin A. V.,Efremov A. V.,Gonchar L. E.,Agzamova P. A. // PHYSICS OF THE SOLID STATE. - 2008. - V. 50, l. 9. - P. 1795-1798.

ISSN/EISSN:

1063-7834 / нет данных

Type:

Article; Proceedings Paper

Abstract:

A model is proposed for the LaTiO3 compound, which allows for the strong coupling of the lattice, orbital, and magnetic subsystems of this crystal. The interaction of the lattice with the electronic structure of the LaTiO3 compound is described by the vibronic Hamiltonian with the constants calculated using the ab initio Hartree-Fock-Roothaan method with the inclusion of the electron correlations. It is demonstrated that a considerable contribution to the formation of the orbital structure of the LaTiO3 compound is made by the next-nearest neighbors of the Ti3+ ion. The orbital-dependent superexchange interactions in LaTiO3 are described within the Hubbard model and agree well with experiment.

Author keywords:

нет данных

DOI:

10.1134/S1063783408090400

Web of Science ID:

ISI:000259131900040

Соавторы в МНС:

Другие поля

Поле	Значение
Month	SEP
Note	13th Feofilov Symposium on Spectroscoph of Crystals Doped by Rare-Earth and Transition-Metal Ions, Irkutsk, RUSSIA, JUL 09-13, 2007
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	a\_mozhegorov@mail.ru
ResearcherID-Numbers	Agzamova, Polina/I-5707-2013 Gonchar, Liudmila/L-6878-2016 Efremov, Andrey/J-3524-2013 Nikiforov, Anatoliy/L-4436-2016
ORCID-Numbers	Agzamova, Polina/0000-0001-8145-9945 Gonchar, Liudmila/0000-0002-5872-3565 Efremov, Andrey/0000-0001-5713-0437
Number-of-Cited-References	22
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	46
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	347HT