Now showing items 1-2 of 2

    • Computational study of Mn-doped GaN polar and non-polar surfaces 

      Martinez Castro, Oscar Segundo; González García, Alvaro; López Pérez, William; González Hernández, Rafael J. (Computational Materials Science, 2018)
      First-principles calculations were carried out in order to study the magnetic, electronic and structural properties of the Mn-doped polar GaN(0 0 0 1) and non-polar GaN(101¯0) and GaN(112¯0) surfaces, with the aim of ...
    • Structural, electronic and magnetic properties of Ti-doped polar and nonpolar GaN surfaces 

      Mendoza Estrada, Victor Julio; González García, Alvaro; López Pérez, William; Pinilla, Carlos C.; González Hernández, Rafael J. (Journal of Crystal Growth, 2017-03-09)
      Based on density functional theory, first-principles calculations were performed in order to study the titanium incorporation on polar and nonpolar GaN surfaces. The formation energy calculations indicate that Ti impurity ...