Control of charge state of dopants in insulating crystals: Case study of Ti-doped sapphire

2020/05/07 by L. Yu. Kravchenko, D. V. Fil · 7 citations
Engineering · Materials Science · Physics and Astronomy · #Charge (physics) #Charge control #Dopant #Electronic and Structural Properties of Oxides #Laser Material Processing Techniques #Population #Sapphire #Solid State Laser Technologies #State (computer science) #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevresearch.2.023135

published in Physical Review Research 2(2) (American Physical Society)

openalex publication_date 2020/05/07 · openalex created_date 2020/05/13 · arxiv created 2020/11/23 · arxiv updated 2020/11/24 · openalex updated_date 2026/08/05

Abstract

This paper presents a method to calculate defect formation energies and of dopant concentration in materials. The authors apply their scheme to the problem of obtaining of Ti:Al₂O₃ crystals with high Figure-of-Merit.

Citations

• First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions
• Efficient index handling of multidimensional periodic boundary conditions