First-principles study of structural and response properties of barium titanate phases.
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Date
2017-03
Authors
Eong Sheng, Goh
Journal Title
Journal ISSN
Volume Title
Publisher
Universiti Sains Malaysia
Abstract
Sifat keadaan asas BaTiO3 perovskite kristal dalam kedua-dua bentuk pukal dan
kepingan telah dikaji dengan menggunakan prinsip pertama Teori Fungsian Ketumpatan (DFT) dan kaedah projektor gelombang imbuhan.
Ground state properties of BaTiO3 perovskite crystal, both in bulk and slab form,
were studied using first-principles density functional theory (DFT) using the projectoraugmented wave methods.
Description
Keywords
Principles , Properties