43 citations · 126 across the 4 of their papers we have counts for
4 papers
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…
Microscopic model for transitions from Mott to spin-Peierls insulator in TiOCl
Yu-Zhong Zhang, Harald O. Jeschke, Roser Valenti
On the basis of ab initio density functional theory (DFT) calculations, we derive the underlying microscopic model Hamiltonian for TiOCl, a unique system that shows two consecutive…
Microscopic modeling of a spin crossover transition
Harald O. Jeschke, L. Andrea Salguero, Badiur Rahaman +5
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special…
Unusual quasi-one-dimensional electron dispersions in the spin-1/2 quantum magnet TiOCl
M. Hoinkis, M. Sing, J. Schaefer +8
We have studied the electronic structure of the spin-1/2 quantum magnet TiOCl by polarization-dependent momentum-resolved photoelectron spectroscopy. From that, we confirm the quas…