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cond-mat.mtrl-sci2024
Phase transitions in KNbO3: symmetry analysis and first principles calculations
R. A. Evarestov, Yu. E. Kitaev, S. S. Novikov
Group theoretical aspects of the three temperature-dependent and temperature-reversible experimentally observed phase transitions in the KNbO3 crystal (cubic-tetragonal, tetragonal…
cond-mat.mtrl-sci2024
Quantum chemical study of the influence of torsional deformation on the properties of chiral WXY (X, Y = S, Se) Janus-nanotubes
Ilia Mikhailov, Anton Domnin, Robert Evarestov
This work sheds light on the electronic band properties of chiral WSSe Janus nanotubes from the quantum mechanical perspective. Line groups theory developed by Damnjanovich was use…