1.2k citations
- Center for Integrated Quantum Science and TechnologyDE57 papers
- Centre National de la Recherche ScientifiqueFR20 papers
- Helmholtz-Institute UlmDE18 papers
- Leibniz University HannoverDE14 papers
- Imperial College LondonGB13 papers
- Hebrew University of JerusalemIL12 papers
- Technische Hochschule UlmDE12 papers
- National University of SingaporeSG10 papers
- Universitat Autònoma de BarcelonaES10 papers
- Technical University of MunichDE9 papers
- University of MilanIT9 papers
- Centre for Quantum TechnologiesSG8 papers
Showing 2012 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2012★ 1.2k cited
Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping
Hannu-Pekka Komsa, Jani Kotakoski, Simon Kurasch +3
Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic…
cond-mat.mtrl-sci2012
On the gradient for metallic systems with a local basis set
K. Doll
The analytical gradient for periodic systems is presented, for the case of metallic systems. The total energy and the free energy are computed on the Hartree-Fock or density functi…