0133303 - FZU-D 20010097 RIV GB eng J - Journal Article
Tupitsyn, I. I. - Deineka, Alexander - Trepakov, V. A. - Jastrabík, Lubomír - Kapphan, S.
Li-doping effect on the energy structure of KTaO.sub.3.
Ferroelectrics. Roč. 237, - (2000), s. 313-320. ISSN 0015-0193. E-ISSN 1563-5112
Grant - others:CZ-IT(XC) 069/P-3878
Institutional research plan: CEZ:AV0Z1010914
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.547, year: 2000

The electronic structure calculation of pure and Li doped KTaO_3 is performed by first-principle CASTEP code and INDO (semiempirical Hartree-Fock) methods. In ab initio calculations based on density functional theory the plane wave basis and ab initio psudopotentials have been used.
Permanent Link: http://hdl.handle.net/11104/0031282