4 papers
Computational study of antiferromagnetic and mixed-valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram
Kamil Tokar, Mariana Derzsi, Wojciech Grochala
Crystal and electronic structure, lattice dynamics and thermodynamic stability of little known mixed valent diamagnetic AgIAgIIIF4 beta form of AgF2 is thoroughly examined for the…
Gigantic work function in layered AgF2
Wojciech Wegner, Kamil Tokár, Jose Lorenzana +2
AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is al…
Many-body quantum Monte Carlo study of 2D materials: cohesion and band gap in single-layer phosphorene
Tobias Frank, Rene Derian, Kamil Tokar +3
Quantum Monte Carlo (QMC) is applied to obtain the fundamental (quasiparticle) electronic band gap, , of a semiconducting two-dimensional (2D) phosphorene whose optical and el…
The silver route to cuprate analogs
Jakub Gawraczyński, Dominik Kurzydłowski, Wojciech Gadomski +13
The parent compound of high-Tc superconducting cuprates is a unique Mott state consisting of layers of spin-1/2 ions arranged on a square lattice and with a record high antiferroma…