QR-koda

First-principles calculations to investigate structural, elastic, optical, and thermoelectric properties of narrow band gap semiconducting cubic ternary fluoroperovskites barium based BaMF3 (M = Ag and Cu) compounds

Herein the first-principle modeling within the DFT framework is used to investigate the structural, optoelectronic, elastic, and thermoelectric properties of BaMF3 (M = Ag and Cu) ternary halide Perovskites compounds. The computed tolerance factors for BaAgF3 and BaCuF3 are 0.919 and 0.991 respectiv...

Olles dieđut

Furkejuvvon:
Váldodahkkit: Nasir Rahman, Mudasser Husain, Rajwali Khan, Mohammad Sohail, Tahir Zaman, Abid Ali Khan, Ghulam Murtaza, Riadh Neffati, Aurangzeb Khan
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: Elsevier 2022-11-01
Ráidu:Journal of Materials Research and Technology
Fáttát:
DFT
WIEN2K
BoltzTrap2
Thermoelectric properties
Structural properties
Optoelectronic properties
Liŋkkat:http://www.sciencedirect.com/science/article/pii/S2238785422015769
Fáddágilkorat: Lasit fáddágilkoriid
Eai fáddágilkorat, Lasit vuosttaš fáddágilkora!

Geahča maid