THE INVESTIGATION SOME THE STRUCTURAL, ELECTRONIC AND ELASTIC PROPERTIES OF ThX (X =N, As, P, Sb) BY AB INITIO METHOD


Thesis Type: Postgraduate

Institution Of The Thesis: Gazi University, Fen Bilimleri Enstitüsü, Turkey

Approval Date: 2008

Thesis Language: Turkish

Student: SERKAN ARSLAN

Supervisor: YASEMİN ÇİFTCİ

Abstract:

İn this work, some the structural, elastic and electronic properties of thorium compounds are calculated by using ab initio method within the plane wave pseudopotentials and density functional theory. For these comppounds, the lattice parameters, elastic constants, band structures are calculated. The obtained results are compared with the available experimental data. The used method presents, quite well, these properties of thorium compounds.