Jochen Rohrer

2023

The Fermi energy as common parameter to describe charge compensation mechanisms: A path to Fermi level engineering of oxide electroceramics

Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth

2011

Stacking and band structure of van der Waals bonded graphane multilayers

2010

Stacking and band structure of van der Waals bonded graphane multilayers

2010

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

2010

Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth

2010

Ab initio thermodynamics of deposition growth: Surface terminations of TiC(111) and TiN(111) grown by chemical vapor deposition

Relative stability of 6H-SiC(0001) surface terminations and formation of graphene overlayers by Si evaporation

2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide

Formation stability and electronic structure of surfaces and interfaces from first principles

Structure of thin-film oxides: an ab initio study of TiC/Alumina

Coarse-grained model for growth of α- and k-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings