Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) compounds in cubic and orthorhombic crystallographic phases are investigated using FP-LAPW method along with GGA and GGA-mBJ potentials based on DFT. Electronic properties shows that all the compounds both in cubic and ort...

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Bibliographic Details
Main Authors: Hafiz Muhammad Tahir Farid, Abeer Mera, Tahani I. Al-Muhimeed, Abeer A. AlObaid, Hind Albalawi, H.H. Hegazy, Syeda Rabia Ejaz, Rabia Yasmin Khosa, Shahid Mehmood, Zahid Ali
Format: Article
Language:English
Published: Elsevier 2021-07-01
Series:Journal of Materials Research and Technology
Subjects:
Anti-perovskite
First principal calculations
Electronic band profiles
Optical properties
Thermoelectric properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785421004725

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http://www.sciencedirect.com/science/article/pii/S2238785421004725

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