Search Results - "Marten, Tobias"
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First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids
Published in Journal of electron spectroscopy and related phenomena (01-05-2010)“…We present a brief overview of recent theoretical studies of the core-level binding energy shift (CLS) in solid metallic materials. The focus is on first…”
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Questionable collapse of the bulk modulus in CrN
Published in Nature materials (01-04-2010)“…In this comment we show that the main conclusion in a previous article, claiminga drastic increase in compressibility of CrN at the cubic to orthorhombic…”
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Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
Published in Physical review. B, Condensed matter and materials physics (29-11-2010)“…Two different methods for the modeling of a magnetically disordered CrN stateusing a supercell approach are investigated. They are found to give…”
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Interface core-level shifts as a probe of embedded thin-film quality
Published in Physical review. B, Condensed matter and materials physics (26-08-2011)“…We use first-principles calculations of layer-resolved core-level binding energy shifts (CLSs) within density functional theory as away to characterize the…”
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Core-level shifts in complex metallic systems from first principle
Published in Physica Status Solidi (b) (01-09-2006)“…We show that core‐level binding energy shifts (CLS) can be reliably calculated within density functional theory. The scheme includes both the initial (electron…”
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Double-segregation effect in AgxPd1-x/Ru(0001) thin film nanostructures
Published in Physical review. B, Condensed matter and materials physics (01-03-2008)“…We study the structural properties of ultrathin AgxPd1-x films on top of a Ru(0001) substrate. Effective interatomic interactions, obtained from…”
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Theoretical Considerations of Local Environment Effects in Alloys
Published 01-01-2010“…This thesis is devoted to a theoretical study of local environment effects in alloys. A fundamental property of a disordered system is that all chemically…”
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First-principles study of the SiN x /TiN(001) interface
Published in Physical review. B, Condensed matter and materials physics (08-03-2012)Get full text
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Magnetism in systems with reduced dimensionality and chemical disorder: The local environment effects
Published in Journal of magnetism and magnetic materials (01-05-2006)“…We study influence of the local chemical environment, the so-called local environment effects, on the electronic structure and properties of magnetic systems…”
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First-principles study of the SiNx/TiN(001) interface
Published in Physical review. B, Condensed matter and materials physics (08-03-2012)“…The structure of the SiNx tissue phase in superhard TiN/SiNx nanocomposites has been debated in the literature. We present a theoretical investigation of the…”
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First-principles study of the SiN sub(x)/TiN(001) interface
Published in Physical review. B, Condensed matter and materials physics (01-03-2012)“…The structure of the SiN sub(x) tissue phase in superhard TiN/SiN sub(x) nanocomposites has been debated in the literature. We present a theoretical…”
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Single-monolayer SiN x embedded in TiN: A first-principles study
Published in Physical review. B, Condensed matter and materials physics (01-06-2010)“…The dynamical and thermodynamic stability of a single monolayer of SiNx sandwiched isostructurally between B1-TiN(001) and (111) oriented slabs are…”
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Suppression of disorder broadening of core-level photoelectron lines in CuAu alloys by inhomogeneous lattice distortion
Published in Physical review. B, Condensed matter and materials physics (01-01-2009)“…Disorder broadening of core-level binding energies is a general effect observed in random alloys, and identifies an opportunity for studying specific local…”
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Ab initio study of disorder broadening of core photoemission spectra in random Cu-Pd and Ag-Pd alloys
Published in Physical review. B, Condensed matter and materials physics (01-08-2005)“…A first-principles study of the effect of local environment on the electronic structure of random face-centered cubic Ag-Pd and Cu-Pd alloys is presented. The…”
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Double-segregation effect in Ag x Pd 1 − x ∕ Ru ( 0001 ) thin film nanostructures
Published in Physical review. B, Condensed matter and materials physics (01-03-2008)“…We study the structural properties of ultrathin Ag x Pd 1−x films on top of a Ru(0001) substrate. Effective interatomic interactions, obtained from…”
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Journal Article