Free and defect-bound (bi)polarons in LiNbO_{3}: Atomic structure and spectroscopic signatures from ab initio calculations
Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium nioba...
Main Authors: | , , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
American Physical Society
2020-10-01
|
Series: | Physical Review Research |
Online Access: | http://doi.org/10.1103/PhysRevResearch.2.043002 |