The electronic structure of the cubic perovskites SrTiO 3 , BaTiO 3 and PbTiO 3 is calculated by Hartree -Fock and density functional theory methods. Wannier-type atomic orbitals (WTAOs) are obtained from symmetrized combinations of Bloch states of some occupied and vacant bands by a variational met
Structural and electronic properties in cubic and tetragonal BaTiO3 crystal due to La impurity
✍ Scribed by Edgar Patiño; Arvids Stashans
- Book ID
- 117626605
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 201 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0927-0256
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