Molecular origins of exciton condensation in van der Waals heterostructure bilayers.

ABSTRACT: Recent experiments have realized exciton condensation in bilayer materials such as graphene double layers and the van der Waals heterostructure MoSe₂-WSe₂ with the potential for nearly frictionless energy transport. Here we computationally observe the microscopic beginnings of exciton condensation in a molecular-scale fragment of MoSe₂-WSe₂, using advanced electronic structure methods based on reduced density matrices. We establish a connection between the signature of exciton condensation-the presence of a large eigenvalue in the particle-hole reduced density matrix-and experimental evidence of exciton condensation in the material. The presence of a "critical seed" of exciton condensation in a molecular-scale fragment of a heterostructure bilaye

SUBMITTER: Payne Torres LI 

PROVIDER: S-EPMC11578111 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature