Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034877037> ?p ?o ?g. }
- W2034877037 abstract "Abstract We explore BiFeO 3 under tensile strain using first-principles calculations. We find that the actual structures are more complex than what had been previously thought and that there is a strong shear deformation type structural instability which modifies the properties. Specifically, we find that normal tensile strain leads to structural instabilities with a large induced shear deformation in (001) BiFeO 3 thin films. These induced shear deformations in (001) BiFeO 3 thin films under tension stabilize the (001) BiFeO 3 thin films and lead to C c and I ma2 phases that are more stable than the P mc2 1 phase at high tensile strain. The induced shear deformation shifts the C c to I ma2 phase transition towards lower tensile strain region (~1% less), prevents monoclinic tilt and oxygen octahedral tilts and increases the ferroelectric polarization. The induced shear deformation also strongly affects the electronic structure. The results are discussed in relation to growth of BiFeO 3 thin films on cubic and tetragonal substrates involving high levels of tensile strain." @default.
- W2034877037 created "2016-06-24" @default.
- W2034877037 creator A5003144748 @default.
- W2034877037 creator A5003289867 @default.
- W2034877037 creator A5021736861 @default.
- W2034877037 creator A5023765609 @default.
- W2034877037 creator A5040057319 @default.
- W2034877037 creator A5055567718 @default.
- W2034877037 date "2014-04-10" @default.
- W2034877037 modified "2023-10-18" @default.
- W2034877037 title "Structural Instability of Epitaxial (001) BiFeO3 Thin Films under Tensile Strain" @default.
- W2034877037 cites W1506501852 @default.
- W2034877037 cites W1516055919 @default.
- W2034877037 cites W1590887373 @default.
- W2034877037 cites W1656551528 @default.
- W2034877037 cites W1980425760 @default.
- W2034877037 cites W1981368803 @default.
- W2034877037 cites W1981833025 @default.
- W2034877037 cites W1990509279 @default.
- W2034877037 cites W1991792822 @default.
- W2034877037 cites W1993552027 @default.
- W2034877037 cites W2000500972 @default.
- W2034877037 cites W2004653427 @default.
- W2034877037 cites W2008423326 @default.
- W2034877037 cites W2012254064 @default.
- W2034877037 cites W2016842299 @default.
- W2034877037 cites W2028252106 @default.
- W2034877037 cites W2033254147 @default.
- W2034877037 cites W2033849268 @default.
- W2034877037 cites W2034055566 @default.
- W2034877037 cites W2036046648 @default.
- W2034877037 cites W2039504914 @default.
- W2034877037 cites W2046323637 @default.
- W2034877037 cites W2046974651 @default.
- W2034877037 cites W2048354358 @default.
- W2034877037 cites W2054231565 @default.
- W2034877037 cites W2061514341 @default.
- W2034877037 cites W2065162112 @default.
- W2034877037 cites W2069177212 @default.
- W2034877037 cites W2069575310 @default.
- W2034877037 cites W2072215632 @default.
- W2034877037 cites W2074950413 @default.
- W2034877037 cites W2075483486 @default.
- W2034877037 cites W2081315653 @default.
- W2034877037 cites W2082065631 @default.
- W2034877037 cites W2082681922 @default.
- W2034877037 cites W2088802901 @default.
- W2034877037 cites W2109939584 @default.
- W2034877037 cites W2125713092 @default.
- W2034877037 cites W2127628584 @default.
- W2034877037 cites W2130156865 @default.
- W2034877037 cites W2132395913 @default.
- W2034877037 cites W2144675308 @default.
- W2034877037 cites W2324794483 @default.
- W2034877037 cites W3023969750 @default.
- W2034877037 cites W3100612092 @default.
- W2034877037 cites W4320288075 @default.
- W2034877037 doi "https://doi.org/10.1038/srep04631" @default.
- W2034877037 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3982161" @default.
- W2034877037 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24717537" @default.
- W2034877037 hasPublicationYear "2014" @default.
- W2034877037 type Work @default.
- W2034877037 sameAs 2034877037 @default.
- W2034877037 citedByCount "26" @default.
- W2034877037 countsByYear W20348770372014 @default.
- W2034877037 countsByYear W20348770372015 @default.
- W2034877037 countsByYear W20348770372016 @default.
- W2034877037 countsByYear W20348770372017 @default.
- W2034877037 countsByYear W20348770372018 @default.
- W2034877037 countsByYear W20348770372019 @default.
- W2034877037 countsByYear W20348770372020 @default.
- W2034877037 countsByYear W20348770372021 @default.
- W2034877037 countsByYear W20348770372022 @default.
- W2034877037 countsByYear W20348770372023 @default.
- W2034877037 crossrefType "journal-article" @default.
- W2034877037 hasAuthorship W2034877037A5003144748 @default.
- W2034877037 hasAuthorship W2034877037A5003289867 @default.
- W2034877037 hasAuthorship W2034877037A5021736861 @default.
- W2034877037 hasAuthorship W2034877037A5023765609 @default.
- W2034877037 hasAuthorship W2034877037A5040057319 @default.
- W2034877037 hasAuthorship W2034877037A5055567718 @default.
- W2034877037 hasBestOaLocation W20348770371 @default.
- W2034877037 hasConcept C112950240 @default.
- W2034877037 hasConcept C115624301 @default.
- W2034877037 hasConcept C121332964 @default.
- W2034877037 hasConcept C133386390 @default.
- W2034877037 hasConcept C159985019 @default.
- W2034877037 hasConcept C170751736 @default.
- W2034877037 hasConcept C171250308 @default.
- W2034877037 hasConcept C185592680 @default.
- W2034877037 hasConcept C19067145 @default.
- W2034877037 hasConcept C192562407 @default.
- W2034877037 hasConcept C204366326 @default.
- W2034877037 hasConcept C207821765 @default.
- W2034877037 hasConcept C26873012 @default.
- W2034877037 hasConcept C49040817 @default.
- W2034877037 hasConcept C57879066 @default.
- W2034877037 hasConcept C61276311 @default.
- W2034877037 hasConcept C79090758 @default.
- W2034877037 hasConcept C8010536 @default.