Тип публикации: статья из журнала
Год издания: 2012
Идентификатор DOI: 10.1142/S0217984912300165
Ключевые слова: LDA plus GTB method, strongly-correlated systems, band structure, LDA + GTB method
Аннотация: High-T-c superconductors with CuO2 layers, manganites La1-xSrxMnO3 and cobaltites LaCoO3 present several mysteries in their physical properties. Most of them are believed to come from the strongly-correlated nature of these materials. From the theoretical viewpoint, there are many hidden rocks in making the consistent description oПоказать полностьюf the band structure and low-energy physics starting from the Fermi-liquid approach. Here, we discuss the alternative method - multielectron approach to the electronic structure calculations for the Mott insulators - called LDA + GTB (local density approximation + generalized tight-binding) method. Its origin is a straightforward generalization of the Hubbard perturbation theory in the atomic limit and the multiband p - d Hamiltonian with the parameters calculated within LDA. We briefly discuss the method and focus on its applications to cuprates, manganites and cobaltites.
Журнал: MODERN PHYSICS LETTERS B
Выпуск журнала: Vol. 26, Is. 24
ISSN журнала: 02179849
Место издания: SINGAPORE
Издатель: WORLD SCIENTIFIC PUBL CO PTE LTD