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

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

2010

Stacking and band structure of van der Waals bonded graphane multilayers

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