Sökning: "Hydrogen-dense materials"

Hittade 1 avhandling innehållade orden Hydrogen-dense materials.

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

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

   Sammanfattning : 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. LÄS MER