Now showing items 1-3 of 3

    • Adsorption of Hydrogen at the GaN(000-1) Surface: An Ab Initio Study 

      Ptasińska, Maria; Piechota, Jacek; Krukowski, Stanisław (American Chemical Society, 2015)
      ABSTRACT: Ab initio calculations are used to determine the basic physical properties of hydrogen adsorption at the N-terminated GaN(0001̅) surface. It was shown that the Fermi level is pinned at the valence band maximum ...
    • Compressed arsenolite As4O6 and its helium clathrate As4O6·2He 

      Guńka, Piotr; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz (American Chemical Society, 2015)
      Crystal structure of arsenolite, the cubic polymorph of arsenic(III) oxide, has been determined by single crystal X-ray diffraction up to 30 GPa. The bulk of the crystal is monotonically compressed with no detectable ...
    • Electronic transfer contribution in adsorption of silicon at SiC(0001) surface – density functional theory (DFT) study 

      Sołtys, Jakub; Piechota, Jacek; Krukowski, Stanisław (preprint, 2015)
      Physical properties of SiC(0001) surface under various coverage by Si adatoms was studied using density functional theory (DFT) calculations. The clean SiC(0001) surface has the Fermi level pinned by Si broken bond state ...