0133422 - FZU-D 20010274 RIV US eng J - Článek v odborném periodiku
Tupitsyn, I. I. - Deineka, Alexander - Trepakov, Vladimír - Jastrabík, Lubomír - Kapphan, S. E.
Energy structure of KTaO₃ and KTaO₃:Li.
Physical Review. B. Roč. 64, - (2001), s. 195111-1-195111-6. ISSN 0163-1829
Grant CEP: GA MŠMT LN00A015; GA ČR GA202/00/1425
Výzkumný záměr: CEZ:AV0Z1010914
Klíčová slova: KTaO₃ * KTaO₃:Li * energy structure calculations
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.070, rok: 2001

Ab initio energy structure calculations of pure KTaO_{3 (KTO) and KTaO}3 doped with Li(KTL) were performed using the CASTER code based on the density functional theory (DFT) and the intermediate neglect of the differential overlap INDO method. The optimiyed lattice parameters of perfect KTO calculated in this work are in a good agreement with the available experimental data.
Trvalý link: http://hdl.handle.net/11104/0031391