Publications of Matthias Scheffler

Journal Article

Yan, Qimin, Patrick Rinke, Matthias Scheffler and Chris G. Van de Walle: Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN.

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2008

Journal Article

Behler, Jörg, Karsten Reuter and Matthias Scheffler: Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface.

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Journal Article

Buecking, Norbert, Peter Kratzer, Matthias Scheffler and Andreas Knorr: Linking density functional and density-matrix theory: Picosecond electron relaxation at the Si(100) surface.

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Journal Article

Freysoldt, Christoph, Philipp Eggert, Patrick Rinke, Arno Schindlmayr and Matthias Scheffler: Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach.

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Journal Article

Gómez-Abal, Ricardo, Xinzheng Li, Matthias Scheffler and Claudia Ambrosch-Draxl: Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors.

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Journal Article

Hammerschmidt, Thomas, Peter Kratzer and Matthias Scheffler: Analytic many-body potential for InAs/GaAs surfaces and nanostructures: Formation energy of InAs quantum dots.

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Journal Article

Hortamani, Mahboubeh, Leonid Sandratskii, Peter Kratzer, Ingrid Mertig and Matthias Scheffler: Exchange interactions and critical temperature of bulk and thin films of MnSi: A density functional theory study.

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Journal Article

Kitchin, John R., Karsten Reuter and Matthias Scheffler: Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag₃Pd(111) in oxygen atmospheres.

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Journal Article

Li, Bo, Angelos Michaelides and Matthias Scheffler: How strong is the bond between water and salt?

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Journal Article

Pentcheva, Rossitza, W. Moritz, J. Rundgren, S. Frank, D. Schrupp and Matthias Scheffler: A combined DFT/LEED-approach for complex oxide surface structure determination: Fe₃O₄(0 0 1).

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Journal Article

Piccinin, Simone, Catherine Stampfl and Matthias Scheffler: First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment.

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Journal Article

Rinke, Patrick, Abdallah Qteish, Jörg Neugebauer and Matthias Scheffler: Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations.

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Journal Article

Rinke, Patrick, Momme Winkelnkemper, Abdallah Qteish, Dieter Bimberg, Jörg Neugebauer and Matthias Scheffler: Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN.

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Journal Article

Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study.

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Journal Article

Santra, Biswajit, Angelos Michaelides, Martin Fuchs, Alexandre Tkatchenko, Claudia Filippi and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions.

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Journal Article

Singh, Abhishek Kumar, Anderson Janotti, Matthias Scheffler and Chris G. Van de Walle: Sources of electrical conductivity in SnO₂.

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