Počet záznamů: 1
Dynamical mean-field approach to materials with strong electronic correlations
0352182 - FZU-D 2011 RIV DE eng J - Článek v odborném periodiku
Kuneš, Jan - Leonov, I. - Kollar, M. - Byczuk, K. - Anisimov, V.I. - Vollhardt, D.
Dynamical mean-field approach to materials with strong electronic correlations.
The European Physical Journal Special Topics. Roč. 180, - (2010), s. 5-28 ISSN 1951-6355
Výzkumný záměr: CEZ:AV0Z10100521
Klíčová slova: dynamical mean-field * electronic correlations
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 0.838, rok: 2010
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the dynamical mean-field theory (DMFT). The application to four outstanding problems in this field is discussed: (i) we compute the full valence band structure of the charge-transfer insulator NiO by explicitly including the p-d hybridization, (ii) we explain the origin for the simultaneously occuring metal-insulator transition and collapse of the magnetic moment in MnO and Fe2O3, (iii) we describe a novel GGA+DMFT scheme in terms of plane-wave pseudopotentials which allows us to compute the orbital order and cooperative Jahn-Teller distortion in KCuF3 and LaMnO3, and (iv) we provide a general explanation for the appearance of kinks in the effective dispersion of correlated electrons in systems with a pronounced three-peak spectral function.
Trvalý link: http://hdl.handle.net/11104/0191756