628 citations · 8.2k across the 176 of their papers we have counts for
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First principles perspective on the microscopic model for Cs2CuCl4 and Cs2CuBr4
K. Foyevtsova, Y. Zhang, H. O. Jeschke +1
We investigate the microscopic model for the frustrated layered antiferromagnets Cs2CuCl4 and Cs2CuBr4 by performing ab initio density functional theory (DFT) calculations and with…
Microscopic origin of pressure-induced phase transitions in iron-pnictide superconductors: an {ab initio} molecular-dynamics study
Yu-Zhong Zhang, Hem C. Kandpal, Ingo Opahle +2
Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of FeAs (=Ca, Sr, Ba) under pressure. We find that the structural phase t…
Momentum-resolved single-particle spectral function for TiOCl from a combination of density functional and variational cluster calculations
M. Aichhorn, T. Saha-Dasgupta, R. Valenti +3
We present results for the momentum-resolved single-particle spectral function of the low-dimensional system TiOCl in the insulating state, obtained by a combination of ab initio D…
New structural and magnetic aspects of the nanotube system Na2V3O7
O. Zaharko, J. L. Gavilano, Th. Straessle +11
We present new experimental results of low temperature x-ray synchrotron diffraction, neutron scattering and very low temperature (mK-range) bulk measurements on the nanotube syste…
Effect of dopant atoms on local superexchange in cuprate superconductors: a perturbative treatment
Kateryna Foyevtsova, Roser Valenti, P. J. Hirschfeld
Recent scanning tunneling spectroscopy experiments have provided evidence that dopant impurities in high- Tc superconductors can strongly modify the electronic structure of the CuO…
Two pressure-induced transitions in TiOCl: Mott insulator to anisotropic metal
Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti
Using Car-Parrinello molecular dynamics calculations we investigate the behavior of the low-dimensional multiorbital Mott insulator TiOCl under pressure. We show that the system un…