Dielectric Property and Electronic Structure of LaNbO_4

Masao Arai; Yuan Xu Wang; Shigemi Kohiki; Munenori Matsuo; Hirokazu Shimooka; Toetsu Shishido; Masaoki Oku

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Dielectric Property and Electronic Structure of LaNbO_4

机译：LaNbO_4的介电性能和电子结构

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Powder samples of lanthanum niobate demonstrated a dielectric anomaly at ≈500℃ in both the dielectric constant and dielectric loss when the applied field frequency was 1000 kHz. They were transparent in the visible region, and exhibited a blue emission centered at 2 eV. The first-principles electronic structure computation for lanthanum niobate with both the monoclinic and tetragonal crystal structures revealed that lower conduction bands are mostly composed of Nb 4d 3z~2 - 1 and x~2 — y~2 orbitals and their hybridization with oxygen p-orbitals is weak.

机译：当施加的场频为1000 kHz时，铌酸镧粉末样品的介电常数和介电损耗均在≈500℃左右表现出介电异常。它们在可见光区域是透明的，并呈现出以2 eV为中心的蓝色发射。具有单斜晶和四方晶结构的铌酸镧的第一性原理电子结构计算表明，较低的导带主要由Nb 4d 3z〜2-1和x〜2-y〜2轨道组成，并与氧p-杂化。轨道很弱。

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来源
《Japanese Journal of Applied Physics. Part 1, Regular Papers, Brief Communications & Review Papers》 |2005年第9a期|p.6596-6599|共4页
作者
Masao Arai; Yuan Xu Wang; Shigemi Kohiki; Munenori Matsuo; Hirokazu Shimooka; Toetsu Shishido; Masaoki Oku;
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作者单位

Computational Materials Science Center, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan;

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原文格式 PDF
正文语种 eng
中图分类应用物理学;
关键词
ferroelasticity; dielectric anomaly; luminescence; electronic structure;

机译：铁弹性;介电异常;发光;电子结构;

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Dielectric Property and Electronic Structure of LaNbO_4

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