877 citations · 2.9k across the 44 of their papers we have counts for
14 papers · 1 filter
Skyrmion Hall Effect Revealed by Direct Time-Resolved X-Ray Microscopy
Kai Litzius, Ivan Lemesh, Benjamin Krüger +14
Magnetic skyrmions are highly promising candidates for future spintronic applications such as skyrmion racetrack memories and logic devices. They exhibit exotic and complex dynamic…
Electron correlation effects in diamond: a wave-function quantum chemistry study of the quasiparticle band structure
Alexandrina Stoyanova, Alexander O. Mitrushchenkov, Liviu Hozoi +2
The quasiparticle bands of diamond, a prototype covalent insulator, are herein studied by means of wave-function electronic-structure theory, with emphasis on the nature of the cor…
Observation of non-linear magnetic vortex gyration by X-ray microscopy and micromagnetic simulations
Arne Vansteenkiste, Ben Van de Wiele, Markus Weigand +7
Magnetic vortex gyration in a 500 nm wide, 50 nm thick Permalloy square platelet was investigated using time-resolved scanning transmission x-ray microscopy and micromagnetic simul…
Ab initio wavefunction based methods for excited states in solids: correlation corrections to the band structure of ionic oxides
L. Hozoi, U. Birkenheuer, P. Fulde +2
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ioni…
A simplified method for the computation of correlation effects on the band structure of semiconductors
Uwe Birkenheuer, Peter Fulde, Hermann Stoll
We present a simplified computational scheme in order to calculate the effects of electron correlations on the energy bands of diamond and silicon. By adopting a quasiparticle pict…
The convergence of the ab-initio many-body expansion for the cohesive energy of solid mercury
Beate Paulus, Krzysztof Rosciszewski, Nicola Gaston +2
A many-body expansion for mercury clusters of the form E = \sum_{i<j}Δε_{ij} + \sum_{i<j<k}Δε_{ijk} + ... \quad, does not converge smoothly with increasing cluster size towards the…
Closed-shell interaction in silver and gold chlorides
Klaus Doll, Pekka Pyykkoe, Hermann Stoll
Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies…
Ground-state properties of rutile: electron-correlation effects
Krzysztof Rosciszewski, Klaus Doll, Beate Paulus +2
Electron-correlation effects on cohesive energy, lattice constant and bulk compressibility of rutile are calculated using an ab-initio scheme. A competition between the two groups…
Ground state properties of heavy alkali halides
Klaus Doll, Hermann Stoll
We extend previous work on alkali halides by calculations for the heavy-atom species RbF, RbCl, LiBr, NaBr, KBr, RbBr, LiI, NaI, KI, and RbI. Relativistic effects are included by m…
Cohesive properties of alkali halides
Klaus Doll, Hermann Stoll
We calculate cohesive properties of LiF, NaF, KF, LiCl, NaCl, and KCl with ab-initio quantum chemical methods. The coupled-cluster approach is used to correct the Hartree-Fock crys…
Correlated ab-initio calculations for ground-state properties of II-VI semiconductors
Martin Albrecht, Beate Paulus, Hermann Stoll
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence () correlations ar…
A Quantum Chemical Approach to Cohesive Properties of NiO
Klaus Doll, Michael Dolg, Peter Fulde +1
We apply ab-initio quantum chemical methods to calculate correlation effects on cohesive properties of NiO, thereby extending a recently proposed scheme to transition metal oxides…
A correlated ab initio treatment of the zinc-blende wurtzite polytypism of SiC and III-V nitrides
Beate Paulus, Fa-Jian Shi, Hermann Stoll
Ground state properties of SiC, AlN, GaN and InN in the zinc-blende and wurtzite structures are determined using an ab initio scheme. For the self-consistent field part of the calc…
Influence of electron correlations on ground-state properties of III-V semiconductors
Simon Kalvoda, Beate Paulus, Peter Fulde +1
Lattice constants and bulk moduli of eleven cubic III-V semiconductors are calculated using an ab initio scheme. Correlation contributions of the valence electrons, in particular,…