Metastable low energy states in TiS2, TiSe2, TiTe2 systems predicted with evolutionary algorithms

Oleg D. Feya, Dmitri V. Efremov

We report a systematic study of low energy metastable states in van der Waals semimetals TiS2, TiSe2 and TiTe2 within the DFT theory by means the evolutionary search algorithm. We…