Konstantin Lion

activity

20212026

collaborators

4 papers

cond-mat.mtrl-sci2026

Structure and thermodynamic stability of $β$ -Ga $_{2}$ O $_{3}$ surfaces

Konstantin Lion, Claudia Draxl

We present a comprehensive first-principles investigation of all symmetrically inequivalent low-index surfaces of $β$ -Ga $_{2}$ O $_{3}$ , examining their structural properties and thermod…

cond-mat.mtrl-sci2025

$β$ -Ga $_{2}$ O $_{3}$ (001) surface reconstructions from first principles and experiment

Konstantin Lion, Piero Mazzolini, Kingsley Egbo +4

We present a comprehensive investigation of reconstructions on $β$ -Ga $_{2}$ O $_{3}$ (001) combining first-principles calculations with experimental observations. Using ab initio atomisti…

cond-mat.mtrl-sci2023

X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory

Konstantin Lion, Caterina Cocchi, Claudia Draxl

We present an x-ray absorption spectroscopy study from the carbon $K$ , sulfur $K$ , and sulfur $L_{2, 3}$ edges of crystalline oligothiophenes of varying length, i.e., bithiophene (2…

cond-mat.mtrl-sci2021

Elastic stability of Ga $_{2}$ O $_{3}$ : Addressing the $β$ to $α$ phase transition from first principles

Konstantin Lion, Pasquale Pavone, Claudia Draxl

Elastic and structural properties of $β$ -Ga $_{2}$ O $_{3}$ and $α$ -Ga $_{2}$ O $_{3}$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K…

Structure and thermodynamic stability of β-Ga2​O3​ surfaces

β-Ga2​O3​(001) surface reconstructions from first principles and experiment

X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory

Elastic stability of Ga2​O3​: Addressing the β to α phase transition from first principles

Structure and thermodynamic stability of $β$ -Ga $_{2}$ O $_{3}$ surfaces

$β$ -Ga $_{2}$ O $_{3}$ (001) surface reconstructions from first principles and experiment

Elastic stability of Ga $_{2}$ O $_{3}$ : Addressing the $β$ to $α$ phase transition from first principles