Browsing by Author "Giannozzi, P."

Now showing items 1-2 of 2

    • Ab initio molecular dynamics study of amorphous CdTeOx alloys: Structural properties 
      Menéndez Proupin, Eduardo; Giannozzi, P.; Peralta, J.; Gutiérrez, G. (2009)
      The structural short-range order of amorphous compounds with the composition CdTeOx a-CdTeOx is investigated by means of ab initio molecular dynamics. The interatomic forces have been calculated using a plane-wave ...
    • Core-level shift analysis of amorphous CdTeO (x) materials 
      Lizárraga, R.; Holmström, E.; Amézaga, Alexis; Bock, N.; Peery, T.; Menéndez Proupin, Eduardo; Giannozzi, P. (SPRINGER, 2010-03-15)
      We show the importance of considering the detailed local distributions of oxygen atoms around tellurium in CdTeOx glasses when interpreting X-ray photoemission experiments. We perform first principles calculations of ...