Quantifying octahedral rotations in strained perovskite oxide films

S. J. May; J. W. Kim; J. M. Rondinelli; E. Karapetrova; N. A. Spaldin; A. Bhattacharya; P. J. Ryan

doi:10.1103/PhysRevB.82.014110

Quantifying octahedral rotations in strained perovskite oxide films

S. J. May, J. W. Kim, J. M. Rondinelli, E. Karapetrova, N. A. Spaldin, A. Bhattacharya, P. J. Ryan

Materials Science and Engineering

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

283 Scopus citations

Abstract

We have measured the oxygen positions in LaNiO₃ films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

Original language	English (US)
Article number	014110
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	82
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevB.82.014110
State	Published - Jul 20 2010

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Access to Document

10.1103/PhysRevB.82.014110

Cite this

@article{4a936b7dd1d442d1b821b5fae8688c0b,

title = "Quantifying octahedral rotations in strained perovskite oxide films",

abstract = "We have measured the oxygen positions in LaNiO3 films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.",

author = "May, {S. J.} and Kim, {J. W.} and Rondinelli, {J. M.} and E. Karapetrova and Spaldin, {N. A.} and A. Bhattacharya and Ryan, {P. J.}",

year = "2010",

month = jul,

day = "20",

doi = "10.1103/PhysRevB.82.014110",

language = "English (US)",

volume = "82",

journal = "Physical Review B - Condensed Matter and Materials Physics",

issn = "1098-0121",

publisher = "American Physical Society",

number = "1",

}

TY - JOUR

T1 - Quantifying octahedral rotations in strained perovskite oxide films

AU - May, S. J.

AU - Kim, J. W.

AU - Rondinelli, J. M.

AU - Karapetrova, E.

AU - Spaldin, N. A.

AU - Bhattacharya, A.

AU - Ryan, P. J.

PY - 2010/7/20

Y1 - 2010/7/20

N2 - We have measured the oxygen positions in LaNiO3 films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

AB - We have measured the oxygen positions in LaNiO3 films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

UR - http://www.scopus.com/inward/record.url?scp=77956509068&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77956509068&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.82.014110

DO - 10.1103/PhysRevB.82.014110

M3 - Article

AN - SCOPUS:77956509068

SN - 1098-0121

VL - 82

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 1

M1 - 014110

ER -

Quantifying octahedral rotations in strained perovskite oxide films

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this