FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2136186046> ?p ?o ?g. }

• W2136186046 abstract "We have developed and implemented a formalism for computing the structural response of a periodic insulating system to a homogeneous static electric field within density-functional perturbation theory (DFPT). We consider the thermodynamic potentials $E(mathbf{R},ensuremath{eta},mathcal{E})$ and $F(mathbf{R},ensuremath{eta},mathbf{P}),$ whose minimization with respect to the internal structural parameters $mathbf{R}$ and unit cell strain $ensuremath{eta}$ yields the equilibrium structure at fixed electric field $mathcal{E}$ and polarization $mathbf{P},$ respectively. First-order expansion of $E(mathbf{R},ensuremath{eta},mathcal{E})$ in $mathcal{E}$ leads to a useful approximation in which $mathbf{R}(mathbf{P})$ and $ensuremath{eta}(mathbf{P})$ can be obtained by simply minimizing the zero-field internal energy with respect to structural coordinates subject to the constraint of a fixed spontaneous polarization $mathbf{P}.$ To facilitate this minimization, we formulate a modified DFPT scheme such that the computed derivatives of the polarization are consistent with the discretized form of the Berry-phase expression. We then describe the application of this approach to several problems associated with bulk and short-period superlattice structures of ferroelectric materials such as ${mathrm{BaTiO}}_{3}$ and ${mathrm{PbTiO}}_{3}.$ These include the effects of compositionally broken inversion symmetry, the equilibrium structure for high values of polarization, field-induced structural phase transitions, and the lattice contributions to the linear and the nonlinear dielectric constants." @default.
• W2136186046 created "2016-06-24" @default.
• W2136186046 creator A5000393220 @default.
• W2136186046 creator A5043840818 @default.
• W2136186046 creator A5077912053 @default.
• W2136186046 date "2002-09-30" @default.
• W2136186046 modified "2023-10-12" @default.
• W2136186046 title "Theory of structural response to macroscopic electric fields in ferroelectric systems" @default.
• W2136186046 cites W1567056218 @default.
• W2136186046 cites W1607281462 @default.
• W2136186046 cites W1668611108 @default.
• W2136186046 cites W1972958827 @default.
• W2136186046 cites W1973561160 @default.
• W2136186046 cites W1976008838 @default.
• W2136186046 cites W1981409196 @default.
• W2136186046 cites W1985860536 @default.
• W2136186046 cites W1987705564 @default.
• W2136186046 cites W1988027329 @default.
• W2136186046 cites W1988187231 @default.
• W2136186046 cites W1990745541 @default.
• W2136186046 cites W2012111359 @default.
• W2136186046 cites W2015375971 @default.
• W2136186046 cites W2016700390 @default.
• W2136186046 cites W2018675258 @default.
• W2136186046 cites W2023277675 @default.
• W2136186046 cites W2025776503 @default.
• W2136186046 cites W2026907619 @default.
• W2136186046 cites W2032227435 @default.
• W2136186046 cites W2036208941 @default.
• W2136186046 cites W2039414855 @default.
• W2136186046 cites W2040473720 @default.
• W2136186046 cites W2040897337 @default.
• W2136186046 cites W2044095971 @default.
• W2136186046 cites W2045596260 @default.
• W2136186046 cites W2046647523 @default.
• W2136186046 cites W2049079467 @default.
• W2136186046 cites W2052637367 @default.
• W2136186046 cites W2074950413 @default.
• W2136186046 cites W2077906711 @default.
• W2136186046 cites W2080049104 @default.
• W2136186046 cites W2082050320 @default.
• W2136186046 cites W2083922327 @default.
• W2136186046 cites W2116413757 @default.
• W2136186046 cites W2315843238 @default.
• W2136186046 cites W3099720861 @default.
• W2136186046 cites W3103887024 @default.
• W2136186046 doi "https://doi.org/10.1103/physrevb.66.104108" @default.
• W2136186046 hasPublicationYear "2002" @default.
• W2136186046 type Work @default.
• W2136186046 sameAs 2136186046 @default.
• W2136186046 citedByCount "113" @default.
• W2136186046 countsByYear W21361860462012 @default.
• W2136186046 countsByYear W21361860462013 @default.
• W2136186046 countsByYear W21361860462014 @default.
• W2136186046 countsByYear W21361860462015 @default.
• W2136186046 countsByYear W21361860462016 @default.
• W2136186046 countsByYear W21361860462017 @default.
• W2136186046 countsByYear W21361860462018 @default.
• W2136186046 countsByYear W21361860462019 @default.
• W2136186046 countsByYear W21361860462020 @default.
• W2136186046 countsByYear W21361860462021 @default.
• W2136186046 countsByYear W21361860462022 @default.
• W2136186046 countsByYear W21361860462023 @default.
• W2136186046 crossrefType "journal-article" @default.
• W2136186046 hasAuthorship W2136186046A5000393220 @default.
• W2136186046 hasAuthorship W2136186046A5043840818 @default.
• W2136186046 hasAuthorship W2136186046A5077912053 @default.
• W2136186046 hasBestOaLocation W21361860462 @default.
• W2136186046 hasConcept C121332964 @default.
• W2136186046 hasConcept C133386390 @default.
• W2136186046 hasConcept C147789679 @default.
• W2136186046 hasConcept C185592680 @default.
• W2136186046 hasConcept C205049153 @default.
• W2136186046 hasConcept C26873012 @default.
• W2136186046 hasConcept C37914503 @default.
• W2136186046 hasConcept C60799052 @default.
• W2136186046 hasConcept C62520636 @default.
• W2136186046 hasConcept C79090758 @default.
• W2136186046 hasConceptScore W2136186046C121332964 @default.
• W2136186046 hasConceptScore W2136186046C133386390 @default.
• W2136186046 hasConceptScore W2136186046C147789679 @default.
• W2136186046 hasConceptScore W2136186046C185592680 @default.
• W2136186046 hasConceptScore W2136186046C205049153 @default.
• W2136186046 hasConceptScore W2136186046C26873012 @default.
• W2136186046 hasConceptScore W2136186046C37914503 @default.
• W2136186046 hasConceptScore W2136186046C60799052 @default.
• W2136186046 hasConceptScore W2136186046C62520636 @default.
• W2136186046 hasConceptScore W2136186046C79090758 @default.
• W2136186046 hasIssue "10" @default.
• W2136186046 hasLocation W21361860461 @default.
• W2136186046 hasLocation W21361860462 @default.
• W2136186046 hasOpenAccess W2136186046 @default.
• W2136186046 hasPrimaryLocation W21361860461 @default.
• W2136186046 hasRelatedWork W1639275523 @default.
• W2136186046 hasRelatedWork W1645707745 @default.
• W2136186046 hasRelatedWork W1965891658 @default.
• W2136186046 hasRelatedWork W1986656973 @default.
• W2136186046 hasRelatedWork W1994076047 @default.
• W2136186046 hasRelatedWork W2013705760 @default.
• W2136186046 hasRelatedWork W2035935237 @default.

• next