First-Principles Study on Structural and Electronic Properties of Cubic (Pm3m) And Tetragonal (P4mm) ATiO₃ (A=Pb, Sn) / Nurakma Natasya Md Jahangir Alam ...[et al.]

First-Principles Study on Structural and Electronic Properties of Cubic (Pm3m) And Tetragonal (P4mm) ATiO₃ (A=Pb, Sn) / Nurakma Natasya Md Jahangir Alam ...[et al.]

This work focuses on exploring lead-free ferroelectric materials that have a comparable unique ns2 solitary pair electrons with Pb (II), for example, Sn (II) using the first-principles study. All counts were performed dependent on ultrasoft pseudopotential of Density Functional Theory (DFT) that has...

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Bibliographic Details
Main Authors: Md Jahangir Alam, Nurakma Natasya (Author), Ab Malik Marwan, Nur Aisyah (Author), Samat, Mohd Hazrie (Author), Mohyedin, Muhammad Zamir (Author), Hussin, Nur Hafiz (Author), Marwan Ali, Ab Malik (Author), Hassan, Oskar Hasdinor (Author), Yahya, Muhd Zu Azhan (Author), Mohamad Taib, Mohamad Fariz (Author)
Format: Article
Language:English
Published: Universiti Teknologi MARA Shah Alam, 2020-09.
Subjects:
Physical and theoretical chemistry
Production of electricity directly from chemical action
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