3 papers
cond-mat.mtrl-sci2026
Engineering Electrochromism in Ni-Deficient NiO through Defect, Dopant, and Strain Coupling
Katarina JakovljeviÄ, Ana S. Dobrota, Igor A. PaÅ¡ti +1
The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Us…
cond-mat.mtrl-sci2025
Anisotropic Phonon Dynamics and Directional Transport in Actinide van der Waals Semiconductor USe
Aljoscha Söll, Valentino Jadrisko, Sourav Dey +13
Direction-dependent charge transport and optical responses are characteristic of van der Waals (vdW) materials with strong in-plane anisotropy. While transition-metal trichalcogeni…
cond-mat.mtrl-sci2024
Force-Matching Based Polarizable and Non-Polarizable Force Fields for Perovskite and Non-Perovskite Phases of CsPbI
C. Vona, M. Dankl, A. Boziki +2
Lead halide perovskites have emerged as highly efficient solar cell materials. However, to date, the most promising members of this class are polymorphs, in which a wide-band gap $…