Article ID Journal Published Year Pages File Type
10727413 Physics Letters A 2013 5 Pages PDF
Abstract
► We present the first principles calculations of cubic BaHfO3. ► The energy gap of BaHfO3 was predicted using hybrid functional for the first time. ► The phonon band structure of BaHfO3 was calculated.
Keywords
Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
Preview
Electronic and lattice vibrational properties of cubic BaHfO3 from first principles calculations
Authors
,