195 citations · 1.1k across the 25 of their papers we have counts for
8 papers · 1 filter
Distinct magnetic regimes through site-selective atom substitution in the frustrated quantum antiferromagnet CsCuClBr
P. T. Cong, B. Wolf, M. de Souza +11
We report on a systematic study of the magnetic properties on single crystals of the solid solution CsCuClBr (0 x 4), which include the two known end-…
Multi-step approach to microscopic models for frustrated quantum magnets - the case of the natural mineral azurite
Harald Jeschke, Ingo Opahle, Hem Kandpal +14
The natural mineral azurite Cu(CO)(OH) is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the lack of a unified…
Determination of effective microscopic models for the frustrated antiferromagnets CsCuCl and CsCuBr by density functional methods
Kateryna Foyevtsova, Ingo Opahle, Yu-Zhong Zhang +2
We investigate the electronic and magnetic properties of the frustrated triangular-lattice antiferromagnets CsCuCl and CsCuBr in the framework of density functional…
Importance of Itinerancy and Quantum Fluctuations for the Magnetism in Iron Pnictides
Yu-Zhong Zhang, Hunpyo Lee, Ingo Opahle +2
By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean fiel…
Pressure-driven phase transitions in correlated systems
Yu-Zhong Zhang, Ingo Opahle, Harald O. Jeschke +1
Motivated by recent experimental measurements on pressure-driven phase transitions in Mott-insulators as well as the new iron pnictide superconductors, we show that first principle…
First principles determination of the model parameters in -(ET)Cu(CN)
Harald O. Jeschke, Hem C. Kandpal, Ingo Opahle +2
We present a detailed study of the derivation of the Hubbard model parameters for -(ET)Cu(CN) in the framework of {\it ab initio} Density Functional Theory. We show…
Revision of model parameters for kappa-type charge transfer salts: an ab initio study
Hem C. Kandpal, Ingo Opahle, Yu-Zhong Zhang +2
Intense experimental and theoretical studies have demonstrated that the anisotropic triangular lattice as realized in the kappa-(BEDT-TTF)2X family of organic charge transfer (CT)…
Magnetic-field induced band-structure change in CeBiPt
N. Kozlova, J. Hagel, M. Doerr +11
We report on a field-induced change of the electronic band structure of CeBiPt as evidenced by electrical-transport measurements in pulsed magnetic fields. Above ~25 T, the charge-…