| Title |
AVBVICVII tipo junginių elektroninės struktūros, optinių ir dinaminių savybių tyrimas / |
| Translation of Title |
Investigation of Electronic Structure, Optical and Dynamical Properties of AVBVICVII type Compounds. |
| Authors |
Sereika, Raimundas |
| Full Text |
|
| Pages |
108 |
| Keywords [eng] |
Density functional theory ; ferroelectrics ; electronic structure ; lattice dynamics ; vibrational thermodynamic functions |
| Abstract [eng] |
In the dissertation AVBVICVII type compounds are analyzed theoretically and experimentally. Theoretical studies were carried out using Density Functional Theory (DFT), along with the Full Potential Linearized Augmented Plane Wave (FP-LAPW) method and the Generalized Gradient Approximation (GGA). For calculations Wien2k and PHONON comp. packages were used. Experimental studies were performed using spectroscopic ellipsometry method and measuring permittivity (electrical capacitance) as a function of temperature. The study discusses AVBVICVII type compounds’ inter-atomic chemical bonding, the electronic structure, optical properties, lattice dynamics, vibrational thermodynamic functions and dielectric properties in the paraelectric, ferroelectric and antiferroelectric phases. |
| Type |
Doctoral thesis |
| Language |
Lithuanian |
| Publication date |
2013 |
