Fig. 1: Atomic and electronic structures of bulk 1T-TaS2, 2H-TaS2, and 1T-VSe2.
From: Tuning of spin-transfer torque in VSe2-based vdW magnetic tunnel junctions by electrode polytypes
a Atomic structure of bulk 1T-TaS2, depicting the octahedral coordination of tantalum (blue spheres) by sulfur (yellow spheres) atoms. b Atomic structure of bulk 2H-TaS2, illustrating the prismatic coordination of tantalum atoms by sulfur atoms in the 2H polytype. c Atomic structure of bulk 1T-VSe2, showing the octahedral coordination of vanadium (red spheres) by selenium (green spheres) atoms. d Electronic band structure and orbital-projected density of states (DOS) for bulk 1T-TaS2, highlighting dominant contributions from tantalum d-orbitals (red line) and sulfur p-orbitals (cyan line) near the Fermi energy. e Electronic band structure and orbital-projected DOS for bulk 2H-TaS2, showing similar contributions from tantalum d-orbitals (red line) and sulfur p-orbitals (cyan line). f Spin-resolved electronic band structure and orbital-projected DOS for bulk 1T-VSe2, emphasizing contributions from vanadium d-orbitals and selenium p-orbitals. Spin-orbit coupling effects are excluded in these calculations.
