Thermodynamics of multiferroic BiFeO3

Applications for the deposition of BiFeO3 thin films

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The formation enthalpy of BiFeO3 from oxides is studied by density-functional theory. It is predicted to be a small negative value by local density approximation plus U calculations, which is used to study the phase equilibria and chemical potential-temperature phase diagram of BiFeO3 by the calculation of phase diagram approach. The predicted processing window for BiFeO3 agrees well with experimental oxygen partial pressure-temperature conditions. We further predict that Bi chemical potential represented by its partial pressure can be used to adjust the stability window of BiFeO3. This opens another dimension in tailoring processing conditions for optimal growth of BiFeO3 films.

Original languageEnglish (US)
Article number131904
JournalApplied Physics Letters
Volume98
Issue number13
DOIs
StatePublished - Mar 28 2011

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partial pressure
phase diagrams
thermodynamics
thin films
enthalpy
density functional theory
temperature
oxides
oxygen
approximation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

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title = "Thermodynamics of multiferroic BiFeO3: Applications for the deposition of BiFeO3 thin films",
abstract = "The formation enthalpy of BiFeO3 from oxides is studied by density-functional theory. It is predicted to be a small negative value by local density approximation plus U calculations, which is used to study the phase equilibria and chemical potential-temperature phase diagram of BiFeO3 by the calculation of phase diagram approach. The predicted processing window for BiFeO3 agrees well with experimental oxygen partial pressure-temperature conditions. We further predict that Bi chemical potential represented by its partial pressure can be used to adjust the stability window of BiFeO3. This opens another dimension in tailoring processing conditions for optimal growth of BiFeO3 films.",
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Thermodynamics of multiferroic BiFeO3 : Applications for the deposition of BiFeO3 thin films. / Mei, Zhi Gang; Shang, Shunli; Wang, Yi; Liu, Zi-kui.

In: Applied Physics Letters, Vol. 98, No. 13, 131904, 28.03.2011.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Thermodynamics of multiferroic BiFeO3

T2 - Applications for the deposition of BiFeO3 thin films

AU - Mei, Zhi Gang

AU - Shang, Shunli

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AU - Liu, Zi-kui

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