Search for dissertations about: "Hydrogen-dense materials"

Found 1 swedish dissertation containing the words Hydrogen-dense materials.

2. 1. Ab initio Lattice Dynamics : Hydrogen-dense and Other Materials

   Author : Duck Young Kim; Rajeev Ahuja; Richard Needs; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Density functional perturbation theory; Hydrogen-dense materials; Phase transition; High pressure; Ab initio lattice dynamics; Superconductivity; Quasi-particle approximation; Physics; Fysik;

   Abstract : This thesis presents a theoretical study of materials under high pressure using ab initio lattice dynamics based on density functional theory and density functional perturbation theory using both super-cell and linear response approach. Ab initio lattice dynamics using super-cell approach is applied to compare our theoretical predictions with experimental findings. READ MORE