Browsing First Principles Phase Stability (FPPS) Files by Subject "TiO_X, First Principles Phase Diagram Calculation, Devils' Staircase"

Now showing items 1-1 of 1

    • TiO_X 

      Burton, Bejnamin P.; van de Walle, Axel (2014-09-29)
      First principles based phase diagram calculations were performed for the hexagonal closest packed octahedral-interstitial solid solution system aTiOX, or aTi½ 1 XOX ([ ]¼Vacancy; 0rXr1=2), by the cluster expansion (CE) ...