Taoufik Sakhraoui a František Karlický publikovali nový článek!

Electronic and Magnetic Properties of Ordered Double TransitionMetal MXenes: Ti2MC2T2 (M = Cr, Mo, and W; T = F, O, OH, and Cl) Odkaz zde: https://doi.org/10.1021/acsomega.5c05596 Abstrakt: Here, we use a GFN-xTB (Geometries, Frequencies, and Noncovalent interactions Tight Binding) Hamiltonian of the density functional tight binding (DFTB) method to study the structural, electronic, and magnetic properties…