Optoelectronic data

National Institute Of Standards And Technology | 2018

Kamal Choudhary;

Description:

Dataset that perform high-throughput density functional theory (DFT) calculation of optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using OptB88vDW (OPT) and Tran-Blaha modified Becke Johnson potential (MBJ) potential. This data is distributed publicly through JARVIS-DFT database that we had in our databases.

Citation:

Choudhary, Kamal. “Jarvis-DFT-Optoelectronics.” Figshare, Figshare, 25 Jan. 2018, https://figshare.com/articles/dataset/JARVIS-DFT-Optoelectronics/5825994. Choudhary, Kamal. “Jarvis-DFT-Optoelectronics.” Figshare, Figshare, 25 Jan. 2018, https://figshare.com/articles/dataset/JARVIS-DFT-Optoelectronics/5825994.

Keywords:

dielectric function, bandgap, vanderwaal functional, metagga, Tran-Blaha modified Becke-Johnson potential,

Curator: shurafa