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Electronic structure of materials Adrian P. Sutton
Publisher: Oxford University Press, USA

Mar 28, 2014 - The theoretical modeling of point defects in crystalline materials by means of electronic-structure calculations, with an emphasis on approaches based on density functional theory (DFT), is reviewed. Fundamental areas of glass science such as structure and modeling of amorphous solids, vibrational states of disordered solids, electronic structure of glasses, amorphous chalcogenides, and phase-change materials. Feb 17, 2010 - As devices scale towards atomistic sizes, researches in silicon electronic device technology are investigating alternative structures and materials. Apr 29, 2014 - The position requires a doctorate in physics or materials science or an equivalent degree. May 21, 2010 - Scientists working at the Advanced Light Source (ALS) at the U.S. Current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. Apr 30, 2014 - These are closely related to the electronic structures and bonding states of these materials, which are determined by the incorporation of oxygen and/or oxygen-containing functional groups into the Graphene lattice. Good experience with materials modeling and electronic structure calculations using density functional theory is required. Oct 28, 2011 - Angle-resolved photoemission spectroscopy is an experimental technique to study the electronic structures (band structure) in materials by measuring the angular dependence of photoemission spectra. May 8, 2014 - But tracking how this process alters the electronic structure and associated nanoscale distortions as the material transforms from insulator to pseudogap phase and eventually full-blown superconductivity is no easy task. Dec 8, 2011 - In this study a prototypical model system was investigated with PES with the aim to develop a measurement protocol that allows the determination of electronic properties for such hybrid materials. Our research typically involves close collaboration with CCB experimentalists. Mar 30, 2011 - Ivo Batistić gave us an extensive review of the electronic structure of 2H-NbS2, the layered material which is the parent compound of several intercalates that recently re-appeared in our focus. Mar 21, 2012 - Probing non-crystalline materials is important because even small variations in structure can greatly alter the electronic properties of a material, Miao noted. Jan 17, 2012 - Computational investigations of molecular electronic structure using ab initio and density functional molecular orbital techniques. Mar 3, 2014 - Not all of the atoms of strontium titanate are arranged in the same pattern: if the material is cut at a certain angle, the atoms of the surface layer form a structure, which is different from the structure in the bulk of the material. Dec 1, 2009 - An important step in modelling complex materials is writing down effective Hamiltonians which capture the essential physics.