Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles
Abstract
The identification and design of defects in two-dimensional (2D) materials as promising single photon emitters (SPEs) requires a deep understanding of the underlying carrier recombination mechanisms. Yet, the dominant mechanism of carrier recombination at defects in 2D materials has not been well understood, and some outstanding questions remain: How do recombination processes at defects differ between 2D and 3D systems? What factors determine defects in 2D materials as excellent SPEs at room temperature? In order to address these questions, we developed first-principles methods to accurately calculate the radiative and nonradiative recombination rates at defects in 2D materials, using
- Publication:
-
Physical Review B
- Pub Date:
- August 2019
- DOI:
- 10.1103/PhysRevB.100.081407
- arXiv:
- arXiv:1906.02354
- Bibcode:
- 2019PhRvB.100h1407W
- Keywords:
-
- Condensed Matter - Materials Science;
- Physics - Computational Physics;
- Quantum Physics
- E-Print:
- 5 pages, 4 figures