0133346 - FZU-D 20010141 RIV US eng J - Článek v odborném periodiku
Novák, Pavel - Boucher, F. - Gressier, P. - Blaha, P. - Schwarz, K.
Electronic structure of the mixed valence system (YM)₂BaNiO₅ (M = Ca, Sr).
Physical Review. B. Roč. 63, - (2001), s. 235114-1-235114-8. ISSN 0163-1829
Grant CEP: GA AV ČR IAA1010715; GA ČR GA202/00/1602
Grant ostatní: Czech-Austrian Project KONTAKT(AT) 1999/21
Výzkumný záměr: CEZ:A02/98:Z1-010-914
Klíčová slova: mixed valence system * electronic structure -APW method
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.070, rok: 2001

Electronic structure of the system Y_2-xM_xBaNiO₅ (M = Ca, Sr) was calculated for x = 0, 0.2 and 0.5 using the full-potential linearized augmented-plane-wave method. To describe the exchange and correlation the local spin-density approximation (LSDA), generalized-gradient approximation (GGA), and two versions of the LSDA+U method were employed.
Trvalý link: http://hdl.handle.net/11104/0031320