2024

Huang, Binxiang ; Erhart, Paul ; Yang, Tongqing ; Klein, Andreas (2024)
Electrostatic Boundary Conditions and (Electro)chemical Interface Stability.
In: Advanced Materials Interfaces, 2023, 10 (21)
doi: 10.26083/tuprints-00024674
Article, Secondary publication, Publisher's Version

2022

Erhart, Paul ; Klein, Andreas ; Egdell, Russell G. ; Albe, Karsten (2022)
Band structure of indium oxide: Indirect versus direct band gap.
In: Physical Review B, 2007, 75 (15)
doi: 10.26083/tuprints-00021099
Article, Secondary publication, Publisher's Version

Erhart, Paul ; Klein, Andreas ; Åberg, Daniel ; Sadigh, Babak (2022)
Efficacy of the DFT + U formalism for modeling hole polarons in perovskite oxides.
In: Physical Review B, 2014, 90 (3)
doi: 10.26083/tuprints-00021157
Article, Secondary publication, Publisher's Version

Erhart, Paul ; Albe, Karsten ; Klein, Andreas (2022)
First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects.
In: Physical Review B, 2006, 73 (20)
doi: 10.26083/tuprints-00021169
Article, Secondary publication, Publisher's Version

Erhart, Paul ; Klein, Andreas ; Albe, Karsten (2022)
First-principles study of the structure and stability of oxygen defects in zinc oxide.
In: Physical Review B, 2005, 72 (8)
doi: 10.26083/tuprints-00021170
Article, Secondary publication, Publisher's Version

2008

Erhart, Paul (2008)
Intrinsic Point Defects in Zinc Oxide: Modeling of Structural, Electronic, Thermodynamic and Kinetic Properties.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication