Structural, elastic, mechanical and thermodynamic properties of Terbium oxide: First-principles investigations

• Main Authors: Al Qaisi, S., Abu Jafar, M. S., Gopir, G. K., Ahmed, R., Omran, S., Jaradat, R., Dahliah, D., Khenata, R.
• Format: Article
• Language: English
• Published: Elsevier B.V. 2017
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/id/eprint/74921/1/RAhmed_StructuralElasticMechanicalandThermodynamicProperties.pdf; http://eprints.utm.my/id/eprint/74921/; https://www.scopus.com/inward/record.uri?eid=2-s2.0-85011811003&doi=10.1016%2fj.rinp.2017.01.027&partnerID=40&md5=bc66c103585ba3eea8c1c5739ca4e32b

First-principles investigations of the Terbium oxide TbO are performed on structural, elastic, mechanical and thermodynamic properties. The investigations are accomplished by employing full potential augmented plane wave FP-LAPW method framed within density functional theory DFT as implemented in th...