Publications (14)
Ab initio calculation of the spin lattice relaxation time for nitrogen-vacancy centers in diamond
Johannes Gugler, Thomas Astner, Andreas Angerer +3
We investigate the fundamental mechanism of spin phonon coupling in the negatively charged nitrogen vacancy center in diamond in order to calculate the spin latti…
Correlated excited states in the narrow gap band semiconductor FeSi and antiferromagnetic screening of local spin moments
Sergii Khmelevskyi, Georg Kresse, Peter Mohn
The physical properties of the semiconductor FeSi with very narrow band gap, anomalous behavior of the magnetic susceptibility and metal-insulator transition at elevated temperatur…
Competing magnetic interactions in spin-1/2 square lattice: hidden order in SrVO
Bongjae Kim, Sergii Khmelevskyi, Peter Mohn +1
With decreasing temperature SrVO undergoes two structural phase transitions, tetragonal-to-orthorhombic-to-tetragonal, without long-range magnetic order. Recent experiments…
Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films
Michael Wolloch, Markus E. Gruner, Werner Keune +20
We present phonon dispersions, element-resolved vibrational density of states (VDOS) and corresponding thermodynamic properties obtained by a combination of density functional theo…
Ab-initio friction forces on the nanoscale: A DFT study of fcc Cu(111)
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
While there are a number of models that tackle the problem of calculating friction forces on the atomic level, providing a completely parameter-free approach remains a challenge. H…
Quantum Monte Carlo Simulations for Stacked Spin Ladder Systems Containing Low Concentrations of Non-Magnetic Impurities; Application to the Low Temperature Broadening of NMR-Spectra in SrCu2O3
Robert Achleitner, Hans Gerd Evertz, Masatoshi Imada +2
We present a Quantum Monte Carlo study for Heisenberg spin-1/2 two leg ladder systems doped with non magnetic impurities. The simulations are applied to the doped spin ladder compo…