Computational materials science: Think locally, act globally

Karin M. Rabe

doi:10.1038/nmat753

Computational materials science: Think locally, act globally

Karin M. Rabe

New High Energy Theory Center

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

4 Scopus citations

Abstract

The exceptional behavior of perovskite oxide, PZT, was studied. The phase diagrams of the mixed compound PZT were also discussed. New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a PZT.

Original language	English (US)
Pages (from-to)	147-148
Number of pages	2
Journal	Nature materials
Volume	1
Issue number	3
DOIs	https://doi.org/10.1038/nmat753
State	Published - Nov 2002

All Science Journal Classification (ASJC) codes

Chemistry(all)
Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Access to Document

10.1038/nmat753

Cite this

@article{189c973344b0458da98f92770a73773a,

title = "Computational materials science: Think locally, act globally",

abstract = "The exceptional behavior of perovskite oxide, PZT, was studied. The phase diagrams of the mixed compound PZT were also discussed. New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a PZT.",

author = "Rabe, {Karin M.}",

year = "2002",

month = nov,

doi = "10.1038/nmat753",

language = "English (US)",

volume = "1",

pages = "147--148",

journal = "Nature Materials",

issn = "1476-1122",

publisher = "Nature Publishing Group",

number = "3",

}

TY - JOUR

T1 - Computational materials science

T2 - Think locally, act globally

AU - Rabe, Karin M.

PY - 2002/11

Y1 - 2002/11

N2 - The exceptional behavior of perovskite oxide, PZT, was studied. The phase diagrams of the mixed compound PZT were also discussed. New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a PZT.

AB - The exceptional behavior of perovskite oxide, PZT, was studied. The phase diagrams of the mixed compound PZT were also discussed. New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a PZT.

UR - http://www.scopus.com/inward/record.url?scp=0036878590&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0036878590&partnerID=8YFLogxK

U2 - 10.1038/nmat753

DO - 10.1038/nmat753

M3 - Review article

C2 - 12618796

AN - SCOPUS:0036878590

VL - 1

SP - 147

EP - 148

JO - Nature Materials

JF - Nature Materials

SN - 1476-1122

IS - 3

ER -

Computational materials science: Think locally, act globally

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this