DFT bulk PtTe2 band structure simulation

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Simone Grillo, Leone Di Mauro Villari, Olivia Pulci, A. Marini, Salvatore Macis, S. Lupi
DOI: 10.5281/zenodo.18657625
Cited by: 0

Abstract

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

Fields of Study & Subjects

2D Materials and Applications Topological Materials and Phenomena Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
16 February 2026
Language
EN
Document type
Dataset