Role of semi core levels in determining the band-gaps of semiconductors: First-principles calculations with model Hamiltonians

Role of semicore states in the electronic structure of group-III nitrides: An exact exchange study

Role of shuffles and atomic disorder in Ni-Mn-Ga

Role of Site-selective Doping on Melting Point of CuTi Alloys: A Classical Molecular Dynamics Simulation Study

Role of structural defects on exchange bias in the epitaxial CoO/Co system

Role of structural relaxations, chemical substitutions and polarization fields on the potential line-up in [0001] wurtzite GaN/Al systems

Role of structure of C-terminated 4H-SiC(000) surface in growth of graphene layers - transmission electron microscopy and density functional theory studies

Role of surface disorder on the magnetic properties and hysteresis of nanoparticles

Role of surface waves on the relation between crack speed and the work of fracture

Role of symmetry in quantitative EMCD experiments

Role of the conduction electrons in mediating exchange interactions in Heusler alloys

Role of the defect-core in energetics of vacancies

Role of the electric field in surface electron dynamics above the vacuum level

Role of the exchange and correlation potential into calculating the x-ray absorption spectra of half-metallic alloys: the case of Mn and Cu K-edge XANES in Cu$_2$MnM (M = Al, Sn, In) Heusler alloys

Role of the intrinsic surface state in the decay of image states at a metal surface

Role of the presence of transition-metal atoms at the antisites in CrAs, CrSe and VAs zinc-blende compounds

Role of the self-interaction error in studying chemisorption on graphene from first-principles

Role of the spin-orbit splitting and the dynamical fluctuations in the Si(557)-Au surface

Role of thermal vibrations in magnetic phase transitions

Role of tip size, orientation, and structural relaxations in first-principles studies of magnetic exchange force microscopy and spin-polarized scanning tunneling microscopy