Structural Phase Diagram of TiSe₂: An Approach Based on DFT and Group Theory

TiSe₂ exhibits a possibly chiral charge density wave (CDW) phase. In this talk, we describe energy surface of TiSe₂ using DFT and a symmetry-based approach. We construct the Landau free energy expression, fit its coefficients to DFT results, and explore the possibility of various phases that emerge as the symmetry is lowered. Our results show several possible structural phases with reentrant behavior.