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The nature of the Verwey transition in magnetite (Fe3O4) remains an unsolved puzzle after more than 60 years. Impurities and dopants present in magnetite can alter the Verwey transition temperature T-v as well as other physical characteristics of magnetite ...
The Cd vacancy (VCd) and Te anti-site (TeCd) are two dominant defects in CdTe and CdZnTe alloys grown in Te-rich conditions. We examine the properties of these two intrinsic defects in Cd1-xZnxTe alloys with x
The crystal structure and the magnetic ordering pattern of the electrically insulating perovskite CeVO3 was investigated by high-resolution powder X-ray diffraction and single-crystal neutron diffraction. A structural phase transition from an orthorhombic ...
The electronic structure of isolated bis(phthalocyaninato) terbium(ill) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studie ...
Conditions for a transition from the insulator (I) to metal (M) state in the electron system of highly oriented pyrolytic graphite (HOPG) have been studied by means of magnetotransport measurements in a broad temperature range (0.3–150 K). In magnetic fiel ...
Using hybrid density functionals, we investigate the origin of the large band gap experimentally observed at the 6H-SiC(0001) surface when passivated by an epitaxial silicon oxynitride layer. In order to distinguish the effects resulting from the interfaci ...
Competing orders in strongly correlated systems lead to rich phase diagrams comprising many electronic phases, such as superconductivity, charge/spin density wave, charge order, or bad metallicity. These phases are generically sensitive to a variety of par ...
We have performed a theoretical study of the effect of doping the half-Heusler alloy NiMnSb with the magnetic 3d metals Cr, Mn, Fe, Co, and Ni, with respect to both energetics and magnetic properties. Starting from the formation energies, we discuss the po ...
We report a comprehensive study of transport, magnetotransport, and magnetic properties of single crystals of BaVSe3. The paramagnetic metal-ferromagnetic metal transition at 43 K was followed as a function of pressure by measuring the electrical resistivi ...
We study the charge state of the diffusing O-2 molecule during silicon oxidation through hybrid functional calculations. We calculate charge-transition levels of O-2 in bulk SiO2 and use theoretical band offsets to align these levels with respect to the Si ...
