Evidence for Pb-O covalency in tetragonal PbTiO3

Yoshihiro Kuroiwa; Shinobu Aoyagi; Akikatsu Sawada; Jimpei Harada; Eiji Nishibori; Masaki Takata; Makoto Sakata

Evidence for Pb-O covalency in tetragonal PbTiO₃

Yoshihiro Kuroiwa, Shinobu Aoyagi, Akikatsu Sawada, Jimpei Harada, Eiji Nishibori, Masaki Takata, Makoto Sakata

SRIS - SR Core Research Division

Research output: Contribution to journal › Article › peer-review

364 Citations (Scopus)

Abstract

An experimental evidence for the Pb-O hybridization was reported as Pb-O covalent bonding electron distribution in the charge density distribution of tetragonal PbTiO₃. A high energy synchrotron X-ray powder diffraction data was collected for the analysis of the compounds during the study. Maximum entropy method (MEM)/Rietveld technique was used to determine the electron density distributions. The results indicated the existence of strong covalency in the tetragonal compound as compared to that having a cubic structure. The tertragonal PbTiO₃ was found to form a layered structure of a two-dimensional covalent-bonding network consisting of the Ti-O₅ pyramid.

Original language	English
Article number	217601
Pages (from-to)	2176011-2176014
Number of pages	4
Journal	Physical Review Letters
Volume	87
Issue number	21
Publication status	Published - 2001 Nov 19

Cite this

@article{40fab6e6d6da4928a2df1fce5ad26cb5,

title = "Evidence for Pb-O covalency in tetragonal PbTiO3",

abstract = "An experimental evidence for the Pb-O hybridization was reported as Pb-O covalent bonding electron distribution in the charge density distribution of tetragonal PbTiO3. A high energy synchrotron X-ray powder diffraction data was collected for the analysis of the compounds during the study. Maximum entropy method (MEM)/Rietveld technique was used to determine the electron density distributions. The results indicated the existence of strong covalency in the tetragonal compound as compared to that having a cubic structure. The tertragonal PbTiO3 was found to form a layered structure of a two-dimensional covalent-bonding network consisting of the Ti-O5 pyramid.",

author = "Yoshihiro Kuroiwa and Shinobu Aoyagi and Akikatsu Sawada and Jimpei Harada and Eiji Nishibori and Masaki Takata and Makoto Sakata",

year = "2001",

month = nov,

day = "19",

language = "English",

volume = "87",

pages = "2176011--2176014",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "21",

}

TY - JOUR

T1 - Evidence for Pb-O covalency in tetragonal PbTiO3

AU - Kuroiwa, Yoshihiro

AU - Aoyagi, Shinobu

AU - Sawada, Akikatsu

AU - Harada, Jimpei

AU - Nishibori, Eiji

AU - Takata, Masaki

AU - Sakata, Makoto

PY - 2001/11/19

Y1 - 2001/11/19

N2 - An experimental evidence for the Pb-O hybridization was reported as Pb-O covalent bonding electron distribution in the charge density distribution of tetragonal PbTiO3. A high energy synchrotron X-ray powder diffraction data was collected for the analysis of the compounds during the study. Maximum entropy method (MEM)/Rietveld technique was used to determine the electron density distributions. The results indicated the existence of strong covalency in the tetragonal compound as compared to that having a cubic structure. The tertragonal PbTiO3 was found to form a layered structure of a two-dimensional covalent-bonding network consisting of the Ti-O5 pyramid.

AB - An experimental evidence for the Pb-O hybridization was reported as Pb-O covalent bonding electron distribution in the charge density distribution of tetragonal PbTiO3. A high energy synchrotron X-ray powder diffraction data was collected for the analysis of the compounds during the study. Maximum entropy method (MEM)/Rietveld technique was used to determine the electron density distributions. The results indicated the existence of strong covalency in the tetragonal compound as compared to that having a cubic structure. The tertragonal PbTiO3 was found to form a layered structure of a two-dimensional covalent-bonding network consisting of the Ti-O5 pyramid.

UR - http://www.scopus.com/inward/record.url?scp=0035914747&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035914747&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0035914747

SN - 0031-9007

VL - 87

SP - 2176011

EP - 2176014

JO - Physical Review Letters

JF - Physical Review Letters

IS - 21

M1 - 217601

ER -

Evidence for Pb-O covalency in tetragonal PbTiO₃

Abstract

Other files and links

Fingerprint

Cite this