337 citations · 555 across the 7 of their papers we have counts for
7 papers
Ab Initio Structural Energetics of Beta-Si3N4 Surfaces
Juan C. Idrobo, Hakim Iddir, Serdar Ogut +3
Motivated by recent electron microscopy studies on the Si3N4/rare-earth oxide interfaces, the atomic and electronic structures of bare beta-Si3N4 surfaces are investigated from fir…
Preferential Growth of Pt on Rutile TiO2
Hakim Iddir, Vladimir Skavysh, Serdar Ogut +1
The characterization of Pt/TiO2 (Degussa P25) catalyst system using atomic resolution Z-contrast images and electron energy loss spectroscopy in the scanning transmission electron…
Adsorption and Diffusion of Pt and Au on the Stoichiometric and Reduced TiO2 Rutile (110) Surfaces
Hakim Iddir, Serdar Ogut, Nigel D. Browning +1
A comparative first principles pseudopotential study of the adsorption and migration profiles of single Pt and Au atoms on the stoichiometric and reduced TiO2 rutile (110) surfaces…
The Electronic and Superconducting Properties of Oxygen-Ordered MgB2 compounds of the form Mg2B3Ox
Juan C. Idrobo, Serdar Ogut, Taner Yildirim +2
Possible candidates for the Mg2B3Ox nanostructures observed in bulk of polycrystalline MgB2 (Ref.1) have been studied using a combination of Z-contrast imaging, electron energy los…
Anomalous effective charges and far IR optical absorption of AlRu from first principles
Serdar Ogut, Karin M. Rabe
For the orthorhombic intermetallic semiconductor AlRu, the bandstructure, valence charge density, zone center optical phonon frequencies, and Born effective charge and electron…
Polymorphism and metastability in NbN: Structural predictions from first principles
S. Ogut, K. M. Rabe
We use ab initio pseudopotential total energy calculations with a plane wave basis set to investigate the structural energetics of various phases of polymorphic NbN. Particular att…