Matches in SemOpenAlex for { <https://semopenalex.org/work/W4284667024> ?p ?o ?g. }
- W4284667024 abstract "Macroscopic descriptions of ferroelectrics have an obvious appeal in terms of efficiency and physical intuition. Their predictive power, however, has often been thwarted by the lack of a systematic procedure to extract the relevant materials parameters from the microscopics. Here we address this limitation by establishing an unambiguous two-way mapping between spatially inhomogeneous fields and discrete lattice modes. This yields a natural treatment of gradient couplings in the macroscopic regime via a long-wavelength expansion of the crystal Hamiltonian. Our analysis reveals an inherent arbitrariness in both the flexoelectric and polarization gradient coefficients, which we ascribe to a translational freedom in the definition of the polar distortion pattern. Remarkably, such arbitrariness cancels out in all physically measurable properties (relaxed atomic structure and energetics) derived from the model, pointing to a generalized translational covariance in the continuum description of inhomogeneous ferroelectric structures. We demonstrate our claims with extensive numerical tests on 180° domain walls in common ferroelectric perovskites, finding excellent agreement between the continuum model and direct first-principles calculations.Received 1 February 2022Revised 23 May 2022Accepted 3 June 2022DOI:https://doi.org/10.1103/PhysRevX.12.031002Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Research AreasContinuum mechanicsDomainsFerroelectricityFlexoelectricityTechniquesDensity functional theoryCondensed Matter, Materials & Applied Physics" @default.
- W4284667024 created "2022-07-08" @default.
- W4284667024 creator A5031138176 @default.
- W4284667024 creator A5053056300 @default.
- W4284667024 date "2022-07-05" @default.
- W4284667024 modified "2023-10-18" @default.
- W4284667024 title "Translational Covariance of Flexoelectricity at Ferroelectric Domain Walls" @default.
- W4284667024 cites W1571214573 @default.
- W4284667024 cites W1838947719 @default.
- W4284667024 cites W1964216837 @default.
- W4284667024 cites W1970127494 @default.
- W4284667024 cites W1973941010 @default.
- W4284667024 cites W1987357943 @default.
- W4284667024 cites W1995243851 @default.
- W4284667024 cites W1998189944 @default.
- W4284667024 cites W2004335187 @default.
- W4284667024 cites W2012348092 @default.
- W4284667024 cites W2013059426 @default.
- W4284667024 cites W2013916989 @default.
- W4284667024 cites W2027837491 @default.
- W4284667024 cites W2027862107 @default.
- W4284667024 cites W2030972504 @default.
- W4284667024 cites W2036113194 @default.
- W4284667024 cites W2037376590 @default.
- W4284667024 cites W2049079467 @default.
- W4284667024 cites W2051617107 @default.
- W4284667024 cites W2059758377 @default.
- W4284667024 cites W2061636680 @default.
- W4284667024 cites W2064548269 @default.
- W4284667024 cites W2071023474 @default.
- W4284667024 cites W2078920249 @default.
- W4284667024 cites W2081223393 @default.
- W4284667024 cites W2104757784 @default.
- W4284667024 cites W2120977559 @default.
- W4284667024 cites W2121809600 @default.
- W4284667024 cites W2151462699 @default.
- W4284667024 cites W2158822299 @default.
- W4284667024 cites W2199082774 @default.
- W4284667024 cites W2246414389 @default.
- W4284667024 cites W2256481839 @default.
- W4284667024 cites W2312200152 @default.
- W4284667024 cites W2342574211 @default.
- W4284667024 cites W2480480864 @default.
- W4284667024 cites W2499565015 @default.
- W4284667024 cites W2760122022 @default.
- W4284667024 cites W2767509850 @default.
- W4284667024 cites W2947628223 @default.
- W4284667024 cites W3013517846 @default.
- W4284667024 cites W3017201867 @default.
- W4284667024 cites W3022581516 @default.
- W4284667024 cites W3024715900 @default.
- W4284667024 cites W3044628464 @default.
- W4284667024 cites W3058271844 @default.
- W4284667024 cites W3099915276 @default.
- W4284667024 cites W3104972808 @default.
- W4284667024 cites W3208411867 @default.
- W4284667024 cites W4200455837 @default.
- W4284667024 cites W4210455816 @default.
- W4284667024 doi "https://doi.org/10.1103/physrevx.12.031002" @default.
- W4284667024 hasPublicationYear "2022" @default.
- W4284667024 type Work @default.
- W4284667024 citedByCount "3" @default.
- W4284667024 countsByYear W42846670242023 @default.
- W4284667024 crossrefType "journal-article" @default.
- W4284667024 hasAuthorship W4284667024A5031138176 @default.
- W4284667024 hasAuthorship W4284667024A5053056300 @default.
- W4284667024 hasBestOaLocation W42846670241 @default.
- W4284667024 hasConcept C105795698 @default.
- W4284667024 hasConcept C121332964 @default.
- W4284667024 hasConcept C121864883 @default.
- W4284667024 hasConcept C13274807 @default.
- W4284667024 hasConcept C133386390 @default.
- W4284667024 hasConcept C178650346 @default.
- W4284667024 hasConcept C26873012 @default.
- W4284667024 hasConcept C2778070859 @default.
- W4284667024 hasConcept C33332235 @default.
- W4284667024 hasConcept C33923547 @default.
- W4284667024 hasConcept C62520636 @default.
- W4284667024 hasConcept C74650414 @default.
- W4284667024 hasConcept C79090758 @default.
- W4284667024 hasConceptScore W4284667024C105795698 @default.
- W4284667024 hasConceptScore W4284667024C121332964 @default.
- W4284667024 hasConceptScore W4284667024C121864883 @default.
- W4284667024 hasConceptScore W4284667024C13274807 @default.
- W4284667024 hasConceptScore W4284667024C133386390 @default.
- W4284667024 hasConceptScore W4284667024C178650346 @default.
- W4284667024 hasConceptScore W4284667024C26873012 @default.
- W4284667024 hasConceptScore W4284667024C2778070859 @default.
- W4284667024 hasConceptScore W4284667024C33332235 @default.
- W4284667024 hasConceptScore W4284667024C33923547 @default.
- W4284667024 hasConceptScore W4284667024C62520636 @default.
- W4284667024 hasConceptScore W4284667024C74650414 @default.
- W4284667024 hasConceptScore W4284667024C79090758 @default.
- W4284667024 hasFunder F4320321505 @default.
- W4284667024 hasFunder F4320322252 @default.
- W4284667024 hasFunder F4320322930 @default.
- W4284667024 hasFunder F4320338335 @default.
- W4284667024 hasIssue "3" @default.
- W4284667024 hasLocation W42846670241 @default.
- W4284667024 hasLocation W42846670242 @default.