Search for dissertations about: "Patrizia Monachesi"

Found 1 swedish dissertation containing the words Patrizia Monachesi.

2. 1. Designing and Tuning the Properties of Materials by Quantum Mechanical Calculations

   Author : Jailton Souza de Almeida; Rajeev Ahuja; Patrizia Monachesi; Uppsala universitet; []
   Keywords : Physics; Density Functional Theory; Electronic Structure; Phase Transitions; High Pressure; Optical Properties; Dielectric Functions; Semiconductors; Metals; Fysik;

   Abstract : In many materials, changes in chemical composition, pressure or temperature can induce metal to insulator transitions. It is recently observed in yttrium hydride, for example, changes from a shiny mirror (YH2) to a transparent window (YH3), which has important technological application in optical devices. READ MORE