BaTiO3: Energy, geometrical and electronic structure, relationship ...
2013年10月1日 · We discuss the band structures, densities of states and chemical bonding of eight phases. Further, we analyze the electron density distributions of cubic BaTiO 3 and …
Experimental and first-principles investigation of structural ...
2024年2月1日 · BaTiO 3 exhibits promising characteristics such as strong photorefractive sensitivity and large electro-optic coefficients, positioning it as a viable crystal for …
Barium titanate (BaTiO3): A study of Structural, optical and …
2022年1月1日 · BaTiO 3 is a fundamental ferroelectric perovskite material used in multilayer ceramic capacitors by virtue of its higher values of dielectric constant and lower dielectric loss …
Electronic structure, optical and dielectric properties of BaTiO3 ...
2015年7月20日 · The electronic structure, lattice vibrations, and optical, dielectric and thermodynamic properties of BaTiO 3 /CaTiO 3 /SrTiO 3 (BT/CT/ST) ferroelectric superlattices …
A 2D ferroelectric vortex pattern in twisted BaTiO3 ... - Nature
2024年2月14日 · Here we show that the lateral strain modulation caused by the interface matching between two twisted freestanding ferroelectric BaTiO 3 (BTO) layers sets a …
Electronic structure, chemical bonding, and optical properties …
2000年10月1日 · The electronic-energy band structure, site, and angular-momentum decomposed density of states (DOS) and charge-density contours of perovskite ${\mathrm{BaTiO}}_{3}$ in …
Crystal Structure and the Paraelectric-to-Ferroelectric Phase ...
2008年5月8日 · We have investigated the paraelectric-to-ferroelectric phase transition of various sizes of nanocrystalline barium titanate (BaTiO 3) by using temperature-dependent Raman …
Electronic structure and optical absorption property of BaTiO3…
2023年9月18日 · In this paper, we calculated the different forms of BaTiO 3 /BiCoO 3 composite structure, predicting their visible light absorption performance based on the electronic structure …
Ba Vacancy Defects Regulate the Orbital Electron Arrangement of …
2024年11月14日 · The electronic structure of cation-rich perovskites plays a pivotal role in photocatalytic conversion, while modulating the orbital for an efficient catalyst remains …
Understanding the electronic properties of BaTiO3 and Er3+ doped BaTiO3 ...
Photonic and electronic properties exist inherently in ferroelectric barium titanate (BaTiO 3); severe luminescence quenching also exists due to the insufficient confinement of excitons. In …
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