First-principles investigation of carbon substitution for lead in ferroelectric lead titanate

被引：3

作者：

Al-Hadidi, Meaad ^{[1
,2
]}

Goss, J. P. ^{[1
]}

Briddon, P. R. ^{[1
]}

Al-Hamadany, Raied ^{[3
]}

Ahmed, Mariam ^{[4
]}

Rayson, M. J. ^{[1
]}

机构：

[1] Newcastle Univ, Elect & Elect Engn, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England

[2] Univ Mosul, Coll Sci, Renewable Energy Dept, Mosul, Iraq

[3] Thi Qar Univ, Coll Sci, Dept Phys, Nasiriyah, Iraq

[4] Tripoli Univ, Dept Phys, Tripoli, Libya

来源：

FERROELECTRICS | 2016年 / 498卷 / 01期

关键词：

PbTiO3; perovskite; ferroelectric; defects; carbon; CERAMICS; ACCURATE; POINTS; PBTIO3;

D O I：

10.1080/00150193.2016.1166420

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Lead titanate, a room-temperature ferroelectric, dielectric material, is of great interest for technological applications. Defects play an important role upon its properties, such as remnant polarization, motion of domain walls, dielectric constant and leakage current, and organic species present during growth make carbon a key impurity. This paper presents a first principles study of the structural and electronic properties of carbon substituting for lead in tetragonal lead titanate. Highly characteristic vibrational modes are predicted to provide a route to experimental identification.

引用

页码：12 / 17

页数：6

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