Understanding the EPC matrix elements in reconstructed commensurate CDW material

Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have a remarkable range of electronic structures with charge density waves (CDW) to insulating to semiconducting, metallic, and even superconducting phases. Despite early research identifying charge-density waves (CDW) formation in these systems, the driving mechanisms for the commensurate CDW (CCDW) phase are yet to be completely explored. The common origins of CCDW result from the divergence of the chiral electronic structure due to perfect Fermi-surface nesting and electron-phonon coupling (EPC) matrix elements. However, in the case of layered 2D TMD material with CCDW phase, the role of the reconstructed electronic structure due to periodic lattice distortions (PLD) needs to be visualized via Fermi surface nesting (FSN) and EPC matrix element effects for the CCDW instability. In this case, the computationally accessible CCDW phase of a prototypical TMD, exhibiting a rich phase diagram of CDW has been addressed to understand the role of EPC matrix elements in the origin of CCDW phases. The observations may lead toward the applicability of these materials in next-generation electronics and Quantum Information Science.