DFT bulk PtTe2 band structure simulation
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Bulk 1T-PtTe2 electronic bandstructure, with SOC included, calculated with Grimme’sPBE-DFT-D2 functionals, with high-symmetry directions in the hexagonal Brillouin Zone atkz = 0.35(4)c*, c*=2\pi/c
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Zenodo创建时间：
2026-02-16
