Single-layer LaBr2: Two-dimensional valleytronic semiconductor with spontaneous spin and valley polarizations

Abstract

The current focus of valleytronics research lies in how to produce valley polarization. Although many schemes have been broadly studied, spontaneous valley polarization is rarely explored. Here, we report the discovery of a two-dimensional material with the long-pursued spontaneous spin and valley polarizations. Using first-principles calculations, we reveal that single-layer LaBr2 is dynamically and thermally stable, which could be exfoliated from its bulk material. Single-layer LaBr2 is found to be a compelling two-dimensional ferromagnetic semiconductor. More interestingly, we show that single-layer LaBr2 harbors the extremely rare intrinsic valley polarization, owing to the coexistence of inversion symmetry and time-reversal symmetry breakings. Its spontaneous valley polarization reaches 33 meV, sizable enough for operating room-temperature valleytronic physics. Our work thus provides a promising material for experimental studies and practical applications of two-dimensional spintronics and valleytronics.