title: Unravelling the interplay of crystal structure and electronic band structure of tantalum oxide (Ta2O5).
abstract: The band structure and bandgap of Ta(2)O(5) are extremely controversial issues. Herein, the use of a hybrid functional reduces the error in bandgap estimation from 95% to 5% resulting in a bandgap of 3.7 eV. This is expected to help controlling the electronic and structural properties of the material.
authors.affiliation: Electronics Engineering Department, School of Sciences and Engineering, The American University in Cairo, New Cairo 11835, Egypt.
authors.forename: Ramy
authors.initials: R
authors.lastname: Nashed
authors.forename: Walid M I
authors.initials: WM
authors.lastname: Hassan
authors.forename: Yehea
authors.initials: Y
authors.lastname: Ismail
authors.forename: Nageh K
authors.initials: NK
authors.lastname: Allam