Phase transition and energy spectra of some ferroelectrics-ferroelastics
FERROELECTRICS, cilt.307, ss.45-52, 2004 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 307
- Basım Tarihi: 2004
- Doi Numarası: 10.1080/00150190490492664
- Dergi Adı: FERROELECTRICS
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.45-52
- Çukurova Üniversitesi Adresli: Evet
Özet
We report the results of electronic structure calculations for several types Of MoO4-clusters in the Gd-2(MoO4)(3) structure in ferroelectric and paraelectric phase by using cluster ab initio restricted Hartree Fock method. The results give a variational approximation to the ground state electron densities of these clusters within the framework of ab initio restricted Hartree Fock (RHF) MO LCAO method.