Computational materials science: Think locally, act globally

Karin M. Rabe

doi:10.1038/nmat753

Computational materials science: Think locally, act globally

Karin M. Rabe

School of Arts and Sciences, New High Energy Theory Center

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

5 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

General Chemistry
General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1038/nmat753

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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.",

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Computational materials science: Think locally, act globally

Abstract

All Science Journal Classification (ASJC) codes

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