Mechanical, electronic, optical, and thermodynamic properties of orthorhonmbic LiCuBiO4 crystal: a first–priciples study

Mechanical, electronic, optical, and thermodynamic properties of orthorhonmbic LiCuBiO4 crystal: a first–priciples study

Density functional theory (DFT) based first-principles calculations using GGA+U method have been performed for the first time to investigate elastic, electronic, optical, thermodynamic properties including charge density, Fermi surface, Mulliken population analysis, and theoretical Vickers hardness...

Full description

Bibliographic Details
Main Authors: Md. Mijanur Rahaman, Mirza H.K. Rubel, Md. Abdur Rashid, M. Ashraful Alam, Khandaker Monower Hossain, Md. Imran Hossain, Anjuman Ara Khatun, Md. Mukter Hossain, A.K.M. Azharul Islam, Seiji Kojima, Nobuhiro Kumada
Format: Article
Language:English
Published: Elsevier 2019-09-01
Series:Journal of Materials Research and Technology
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785418311177

Internet

http://www.sciencedirect.com/science/article/pii/S2238785418311177

Similar Items