69 citations · 607 across the 29 of their papers we have counts for
7 papers · 1 filter
The effects of strain in multi-orbital superconductors: the case of SrRuO
Sophie Beck, Alexander Hampel, Manuel Zingl +2
Uniaxial strain experiments have become a powerful tool to unveil the character of unconventional phases of electronic matter. Here we propose a combination of the superconducting…
Charge self-consistent electronic structure calculations with dynamical mean-field theory using Quantum ESPRESSO, Wannier90 and TRIQS
Sophie Beck, Alexander Hampel, Olivier Parcollet +2
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations o…
Investigation of photon emitters in Ce-implanted hexagonal boron nitride
Gabriel I. López-Morales, Mingxing Li, Alexander Hampel +9
Color centers in hexagonal boron nitride (hBN) are presently attracting broad interest as a novel platform for nanoscale sensing and quantum information processing. Unfortunately,…
Sensing Strain-induced Symmetry Breaking by Reflectance Anisotropy Spectroscopy
M. Volpi, S. Beck, A. Hampel +3
Intentional breaking of the lattice symmetry in solids is a key concept to alter the properties of materials by modifying their electronic band structure. However, the correlation…
Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
Lukas Muechler, Danis I. Badrtdinov, Alexander Hampel +3
A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects…
Interplay between breathing-mode distortions and magnetic order in rare-earth nickelates from magnetic models
Danis I. Badrtdinov, Alexander Hampel, Cyrus E. Dreyer
We use density-functional theory calculations to explore the magnetic properties of perovskite rare-earth nickelates, NiO, by constructing microscopic magnetic mod…
Dependence of DFT+DMFT Results on the Construction of the Correlated Orbitals
Jonathan Karp, Alexander Hampel, Andrew J. Millis
The sensitivity of Density Functional Theory plus Dynamical Mean Field Theory calculations to different constructions of the correlated orbitals is investigated via a detailed comp…