Publications of Matthias Scheffler
All genres
Journal Article (599)
2010
Journal Article
, Patrick Rinke, Matthias Scheffler and : Role of strain in polarization switching in semipolar InGaN/GaN quantum wells.
2009
Journal Article
Blum, Volker, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xingou Ren, Karsten Reuter and Matthias Scheffler: Ab initio molecular simulations with numeric atom-centered orbitals.
Journal Article
Carlsson, Johan M., Felix Hanke, Suljo Linic and Matthias Scheffler: Two-step mechanism for low-temperature oxidation of vacancies in graphene.
Journal Article
Carrasco, Javier, Angelos Michaelides and Matthias Scheffler: Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces.
Journal Article
Freysoldt, Christoph, Patrick Rinke and Matthias Scheffler: Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films.
Journal Article
Havu, Ville, Volker Blum, Paula Havu and Matthias Scheffler: Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions.
Journal Article
Hülsen, Björn, Matthias Scheffler and : Structural stability and magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density-functional theory study.
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Hülsen, Björn, Matthias Scheffler and : Thermodynamics of the Heusler alloy Co2-xMn1+xSi: A combined density functional theory and cluster expansion study.
Journal Article
Ireta, Joel and Matthias Scheffler: Density functional theory study of the conformational space of an infinitely long polypeptide chain.
Journal Article
Jiang, Hong, Ricardo I. Gómez-Abal, Patrick Rinke and Matthias Scheffler: Localized and itinerant states in lanthanide oxides united by GW @ LDA + U.
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, , and Matthias Scheffler: Theory of shape evolution of InAs quantum dots on In0:5Ga0:5As/InP(001) substrate.
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Meskine, Hakim, Sebastian Matera, Matthias Scheffler, Karsten Reuter and Horia Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations.
Journal Article
Mulakaluri, Narasimham, , , and Matthias Scheffler: Partial dissociation of water on Fe3O4(001): Adsorbate induced charge and orbital order.
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, and Matthias Scheffler: Ag-Cu alloy surfaces in an oxidizing environment: A first-principles study.
Journal Article
Ren, Xinguo, Patrick Rinke and Matthias Scheffler: Exploring the random phase approximation: Application to CO adsorbed on Cu(111).
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, , , , , , Matthias Scheffler and : Theory of ultrafast dynamics of electron-phonon interactions in two dimensional electron gases: Semiconductor quantum wells, surfaces and graphene.
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, , , , , , Matthias Scheffler and : Two-dimensional electron gases: Theory of ultrafast dynamics of electron-phonon interactions in graphene, surfaces, and quantum wells.
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Rinke, Patrick, , Matthias Scheffler and : Defect formation energies without the band-gap problem: Combining density-functional theory and the GW approach for the silicon self-interstitial.
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations.
Journal Article
, , , Angelos Michaelides, , Karsten Reuter, , , Matthias Scheffler and : Experimental and theoretical study of oxygen adsorption structures on Ag(111).