FATIH AHMET CELIK
Articles written in Bulletin of Materials Science
Volume 45 All articles Published: 16 June 2022 Article ID 0108
Electronic structure of two-dimensional-layered PbTiO$_3$ perovskite crystal: an extended tight-binding study based on DFT
The electronic structure of bulk and slab PbTiO$_3$ perovskite crystal for different layers are investigated
using extended-tight binding calculations (GFN1-xTB) with self-consistent charge calculations based on density functional theory.
The band structure is calculated for bulk PbTiO$_3$, and the bandgap is determined as 4.3 eV which is in good agreement with experimental data.
The bandgaps of slab PbTiO$_3$ for (001) surfaces with five layers from
Volume 46, 2023
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Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020
Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020
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