High-Temperature Excitonic Bose-Einstein Condensate in Centrosymmetric Two-Dimensional Semiconductors

The realization of high-temperature excitonic Bose-Einstein condensation (BEC) in practical materials poses great challenges, because of strict constraints in symmetry, exciton binding, lifetime, and interaction. Here, using first-principles methods and symmetry analysis, we propose a new route to realize high-temperature excitonic BEC in centrosymmetric 2D materials, exploiting the parity symmetry of band edges and reduced Coulomb screening. We demonstrate it by taking monolayer TiS3 as an example, whose lowest-energy exciton shows small exciton mass, small Bohr radius, large binding, and long lifetime simultaneously. The phase diagram of electron-hole systems is further constructed, showing that both BEC and superfluidity can be realized at high temperature and in a broad range of exciton density. Importantly, we reveal that the high-temperature character of excitonic BEC is robust against thickness, beneficial for its experimental observation. By application of this general strategy to 2D materials in the database, monolayer AuBr and BiS2 are identified as promising candidates for high-temperature excitonic BEC.

Automated summary

By utilizing symmetry analysis and first-principles methods, a new approach to achieve high-temperature excitonic BEC in centrosymmetric 2D materials has been proposed, exploiting the parity symmetry of band edges and reduced Coulomb screening. Monolayer TiS3 is used as an example, demonstrating its small exciton mass, small Bohr radius, large binding energy, and long lifetime. The high-temperature character of excitonic BEC is found to be robust against thickness, allowing for experimental observation, and promising candidates for high-temperature excitonic BEC such as monolayer AuBr and BiS2 have been identified in the database.