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Maximally localized Wannier functions in antiferromagnetic MnO within the FLAPW formalism

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Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Maximally localized Wannier functions in antiferromagnetic MnO within the FLAPW formalism

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Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW

Electrons leave the flatland: out-of-plane charge dynamics in layered materials

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Sub-Kelvin stereodynamics of the Ne(3P2)+N2 reaction

Extending the Scope of the Density Overlap Region Indicator

Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations

Stacking-driven gap formation in layered 1T-TaS2

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Electrons leave the flatland: out-of-plane charge dynamics in layered materials

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Extending the Scope of the Density Overlap Region Indicator

Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Sub-Kelvin stereodynamics of the Ne(3P2)+N2 reaction

Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations

Stacking-driven gap formation in layered 1T-TaS2

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure