electronic structure 7 електронна структура 7 Fermi level 2 elastic properties 2 electrical resistivity 2 thermopower coefficient 2 електроопiр 2 пружнi властивостi 2 рiвень Фермi 2 - 1 ARPES 1 FP-LAPW 1 GGA 1 GeTiO3 compound 1 Structural materials 1 U-Net 1 atomic structure 1 boron impurity 1 crystal 1 density functional theory 1 half-Heusler phases 1 neural networks 1 optical spectra 1 phase composition 1 phase transition 1 polyvinylidene fluoride 1 scandium nitride 1 spontaneous polarization 1 titanium carbide 1 атомна структура 1