Matches in SemOpenAlex for { <https://semopenalex.org/work/W2803577462> ?p ?o ?g. }
- W2803577462 abstract "We present a general formula for the tight-binding representation of momentum matrix elements needed for calculating the conductivity based on the Kubo-Greenwood formula using atomic orbitals, which are in general not orthogonal to other orbitals at different sites. In particular, the position matrix element is demonstrated to be important for delivering the exact momentum matrix element. This general formula, applicable to both orthonormal and non-orthonormal bases, solely needs the information of the position matrix elements and the ingredients that have already contained in the tight-binding representation. We then study the anomalous Hall conductivity in the standard example, ferromagnetic bcc Fe, by a first-principles tight-binding Hamiltonian. By assuming the commutation relation $hat{vec{p}} = (i m_e/hbar) [hat{H},hat{vec{r}}]$, the obtained frequency-dependent Hall conductivity is found to be in good agreement with existing theoretical and experimental results. Better agreement with experiments can be reached by introducing a reasonable bandwidth renormalization, evidencing the strong correlation among 3$d$ orbitals in bcc Fe. Since a tight-binding Hamiltonian can be straightforwardly obtained after finishing a first-principles calculation using atomic basis functions that are generated before the self-consistent calculation, the derived formula is particularly useful for those first-principles calculations." @default.
- W2803577462 created "2018-06-01" @default.
- W2803577462 creator A5001612392 @default.
- W2803577462 creator A5037711482 @default.
- W2803577462 creator A5070580503 @default.
- W2803577462 creator A5090760846 @default.
- W2803577462 date "2018-09-11" @default.
- W2803577462 modified "2023-10-03" @default.
- W2803577462 title "Tight-binding calculations of optical matrix elements for conductivity using nonorthogonal atomic orbitals: Anomalous Hall conductivity in bcc Fe" @default.
- W2803577462 cites W1810694562 @default.
- W2803577462 cites W1968549817 @default.
- W2803577462 cites W1970105532 @default.
- W2803577462 cites W1972198418 @default.
- W2803577462 cites W1981368803 @default.
- W2803577462 cites W1988447199 @default.
- W2803577462 cites W1997272529 @default.
- W2803577462 cites W1999276332 @default.
- W2803577462 cites W2000564135 @default.
- W2803577462 cites W2000838091 @default.
- W2803577462 cites W2008542110 @default.
- W2803577462 cites W2014557999 @default.
- W2803577462 cites W2018399067 @default.
- W2803577462 cites W2018763953 @default.
- W2803577462 cites W2028369506 @default.
- W2803577462 cites W2030976617 @default.
- W2803577462 cites W2037807652 @default.
- W2803577462 cites W2038618579 @default.
- W2803577462 cites W2038829494 @default.
- W2803577462 cites W2046001409 @default.
- W2803577462 cites W2075225978 @default.
- W2803577462 cites W2078571947 @default.
- W2803577462 cites W2079963240 @default.
- W2803577462 cites W2080927161 @default.
- W2803577462 cites W2097261790 @default.
- W2803577462 cites W2097780038 @default.
- W2803577462 cites W2098432400 @default.
- W2803577462 cites W2118731734 @default.
- W2803577462 cites W2132568564 @default.
- W2803577462 cites W2141704677 @default.
- W2803577462 cites W2148424525 @default.
- W2803577462 cites W2166459313 @default.
- W2803577462 cites W2230728100 @default.
- W2803577462 cites W2407705908 @default.
- W2803577462 cites W2738363420 @default.
- W2803577462 doi "https://doi.org/10.1103/physrevb.98.115115" @default.
- W2803577462 hasPublicationYear "2018" @default.
- W2803577462 type Work @default.
- W2803577462 sameAs 2803577462 @default.
- W2803577462 citedByCount "21" @default.
- W2803577462 countsByYear W28035774622019 @default.
- W2803577462 countsByYear W28035774622020 @default.
- W2803577462 countsByYear W28035774622021 @default.
- W2803577462 countsByYear W28035774622022 @default.
- W2803577462 countsByYear W28035774622023 @default.
- W2803577462 crossrefType "journal-article" @default.
- W2803577462 hasAuthorship W2803577462A5001612392 @default.
- W2803577462 hasAuthorship W2803577462A5037711482 @default.
- W2803577462 hasAuthorship W2803577462A5070580503 @default.
- W2803577462 hasAuthorship W2803577462A5090760846 @default.
- W2803577462 hasBestOaLocation W28035774622 @default.
- W2803577462 hasConcept C121332964 @default.
- W2803577462 hasConcept C126255220 @default.
- W2803577462 hasConcept C130787639 @default.
- W2803577462 hasConcept C131540310 @default.
- W2803577462 hasConcept C147120987 @default.
- W2803577462 hasConcept C182063899 @default.
- W2803577462 hasConcept C189394030 @default.
- W2803577462 hasConcept C26873012 @default.
- W2803577462 hasConcept C2780517372 @default.
- W2803577462 hasConcept C33923547 @default.
- W2803577462 hasConcept C53848692 @default.
- W2803577462 hasConcept C5806529 @default.
- W2803577462 hasConcept C62520636 @default.
- W2803577462 hasConcept C86025842 @default.
- W2803577462 hasConceptScore W2803577462C121332964 @default.
- W2803577462 hasConceptScore W2803577462C126255220 @default.
- W2803577462 hasConceptScore W2803577462C130787639 @default.
- W2803577462 hasConceptScore W2803577462C131540310 @default.
- W2803577462 hasConceptScore W2803577462C147120987 @default.
- W2803577462 hasConceptScore W2803577462C182063899 @default.
- W2803577462 hasConceptScore W2803577462C189394030 @default.
- W2803577462 hasConceptScore W2803577462C26873012 @default.
- W2803577462 hasConceptScore W2803577462C2780517372 @default.
- W2803577462 hasConceptScore W2803577462C33923547 @default.
- W2803577462 hasConceptScore W2803577462C53848692 @default.
- W2803577462 hasConceptScore W2803577462C5806529 @default.
- W2803577462 hasConceptScore W2803577462C62520636 @default.
- W2803577462 hasConceptScore W2803577462C86025842 @default.
- W2803577462 hasFunder F4320320912 @default.
- W2803577462 hasIssue "11" @default.
- W2803577462 hasLocation W28035774621 @default.
- W2803577462 hasLocation W28035774622 @default.
- W2803577462 hasOpenAccess W2803577462 @default.
- W2803577462 hasPrimaryLocation W28035774621 @default.
- W2803577462 hasRelatedWork W1875486440 @default.
- W2803577462 hasRelatedWork W1983593025 @default.
- W2803577462 hasRelatedWork W1992376231 @default.
- W2803577462 hasRelatedWork W1999088789 @default.
- W2803577462 hasRelatedWork W2004219401 @default.
- W2803577462 hasRelatedWork W2065288425 @default.