Electronic structure of bismuth titanate-base films Bi4-xLn xTi3O12 dependence on substitution atom

Yunseok Kim; Yang Soo Kim; Sung Kwan Kim; Young Ah Jeon; Kwangsoo No

doi:10.1080/10584580500413293

Electronic structure of bismuth titanate-base films Bi_4-xLn _xTi₃O₁₂ dependence on substitution atom

Yunseok Kim
, Yang Soo Kim
, Sung Kwan Kim
, Young Ah Jeon
, Kwangsoo No

Korea Advanced Institute of Science and Technology

Research output: Contribution to journal › Conference article › peer-review

1 Scopus citations

Abstract

Electronic structures and chemical bonding were investigated on Bi ₄Ti₃O₁₂ substituted with lanthanides, such as La, Ce, Pr, and Nd for Bi, using the discrete variational Xα method. Also, we investigated the effect of substitution atom on net charge and overlap population, which is related to the dielectric constant. We found that the net charge and overlap population were dependent on the substitution atom. We concluded that dielectric constant increases as the atomic number of substitution atom increases.

Original language	English
Pages (from-to)	11-16
Number of pages	6
Journal	Integrated Ferroelectrics
Volume	73
DOIs	https://doi.org/10.1080/10584580500413293
State	Published - 2005
Externally published	Yes
Event	Seventeenth International Symposium on Integrated Ferroelectrics, ISIF-17 - Shanghai, China Duration: 17 Apr 2005 → 20 Apr 2005

Keywords

BLnT
Chemical bonding
Dielectric constant
DV-Xα
Electronic structure

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10.1080/10584580500413293

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@article{ec1b6823d7bd4cbaa4ae756b6529c858,

title = "Electronic structure of bismuth titanate-base films Bi4-xLn xTi3O12 dependence on substitution atom",

abstract = "Electronic structures and chemical bonding were investigated on Bi 4Ti3O12 substituted with lanthanides, such as La, Ce, Pr, and Nd for Bi, using the discrete variational Xα method. Also, we investigated the effect of substitution atom on net charge and overlap population, which is related to the dielectric constant. We found that the net charge and overlap population were dependent on the substitution atom. We concluded that dielectric constant increases as the atomic number of substitution atom increases.",

keywords = "BLnT, Chemical bonding, Dielectric constant, DV-Xα, Electronic structure",

author = "Yunseok Kim and Kim, \{Yang Soo\} and Kim, \{Sung Kwan\} and Jeon, \{Young Ah\} and Kwangsoo No",

year = "2005",

doi = "10.1080/10584580500413293",

language = "English",

volume = "73",

pages = "11--16",

journal = "Integrated Ferroelectrics",

issn = "1058-4587",

publisher = "Taylor and Francis Ltd.",

note = "Seventeenth International Symposium on Integrated Ferroelectrics, ISIF-17 ; Conference date: 17-04-2005 Through 20-04-2005",

}

TY - JOUR

T1 - Electronic structure of bismuth titanate-base films Bi4-xLn xTi3O12 dependence on substitution atom

AU - Kim, Yunseok

AU - Kim, Yang Soo

AU - Kim, Sung Kwan

AU - Jeon, Young Ah

AU - No, Kwangsoo

PY - 2005

Y1 - 2005

N2 - Electronic structures and chemical bonding were investigated on Bi 4Ti3O12 substituted with lanthanides, such as La, Ce, Pr, and Nd for Bi, using the discrete variational Xα method. Also, we investigated the effect of substitution atom on net charge and overlap population, which is related to the dielectric constant. We found that the net charge and overlap population were dependent on the substitution atom. We concluded that dielectric constant increases as the atomic number of substitution atom increases.

AB - Electronic structures and chemical bonding were investigated on Bi 4Ti3O12 substituted with lanthanides, such as La, Ce, Pr, and Nd for Bi, using the discrete variational Xα method. Also, we investigated the effect of substitution atom on net charge and overlap population, which is related to the dielectric constant. We found that the net charge and overlap population were dependent on the substitution atom. We concluded that dielectric constant increases as the atomic number of substitution atom increases.

KW - BLnT

KW - Chemical bonding

KW - Dielectric constant

KW - DV-Xα

KW - Electronic structure

UR - https://www.scopus.com/pages/publications/33645514687

U2 - 10.1080/10584580500413293

DO - 10.1080/10584580500413293

M3 - Conference article

AN - SCOPUS:33645514687

SN - 1058-4587

VL - 73

SP - 11

EP - 16

JO - Integrated Ferroelectrics

JF - Integrated Ferroelectrics

T2 - Seventeenth International Symposium on Integrated Ferroelectrics, ISIF-17

Y2 - 17 April 2005 through 20 April 2005

ER -

Electronic structure of bismuth titanate-base films Bi_4-xLn _xTi₃O₁₂ dependence on substitution atom

Abstract

Keywords

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