Matches in SemOpenAlex for { <https://semopenalex.org/work/W2788013020> ?p ?o ?g. }
- W2788013020 endingPage "275802" @default.
- W2788013020 startingPage "275802" @default.
- W2788013020 abstract "We performed comparative analysis for DFT+U functionals to better understand their applicability to non-collinear magnetism. Taking LiNiPO4 and Sr2IrO4 as examples, we investigated the results out of two formalisms based on charge-only density and spin density functional plus U calculations. Our results show that the ground state spin order in terms of tilting angle is strongly dependent on Hund J. In particular, the opposite behavior of canting angles as a function of J is found for LiNiPO4. The dependence on the other physical parameters such as Hubbard U and Slater parameterization [Formula: see text] is investigated. We also discuss the formal aspects of these functional dependences as well as parameter dependences. The current study provides useful information and important intuition for the first-principles calculation of non-collinear magnetic materials." @default.
- W2788013020 created "2018-03-06" @default.
- W2788013020 creator A5046376217 @default.
- W2788013020 creator A5065661573 @default.
- W2788013020 date "2018-06-11" @default.
- W2788013020 modified "2023-10-16" @default.
- W2788013020 title "Comparative study of DFT+<i>U</i> functionals for non-collinear magnetism" @default.
- W2788013020 cites W1528652845 @default.
- W2788013020 cites W1661924784 @default.
- W2788013020 cites W1663486480 @default.
- W2788013020 cites W1665529352 @default.
- W2788013020 cites W1963551001 @default.
- W2788013020 cites W1965389307 @default.
- W2788013020 cites W1966156734 @default.
- W2788013020 cites W1972198418 @default.
- W2788013020 cites W1977700257 @default.
- W2788013020 cites W1980575744 @default.
- W2788013020 cites W1981368803 @default.
- W2788013020 cites W1981724449 @default.
- W2788013020 cites W1984017026 @default.
- W2788013020 cites W1986731219 @default.
- W2788013020 cites W1991395163 @default.
- W2788013020 cites W1991658047 @default.
- W2788013020 cites W2004546742 @default.
- W2788013020 cites W2009867601 @default.
- W2788013020 cites W2019307225 @default.
- W2788013020 cites W2021154394 @default.
- W2788013020 cites W2024161890 @default.
- W2788013020 cites W2026907619 @default.
- W2788013020 cites W2027315202 @default.
- W2788013020 cites W2032723322 @default.
- W2788013020 cites W2034121860 @default.
- W2788013020 cites W2038401345 @default.
- W2788013020 cites W2048518241 @default.
- W2788013020 cites W2052637367 @default.
- W2788013020 cites W2054661952 @default.
- W2788013020 cites W2055242454 @default.
- W2788013020 cites W2057692781 @default.
- W2788013020 cites W2066471691 @default.
- W2788013020 cites W2066548531 @default.
- W2788013020 cites W2078571947 @default.
- W2788013020 cites W2083134706 @default.
- W2788013020 cites W2084567360 @default.
- W2788013020 cites W2087722637 @default.
- W2788013020 cites W2088342001 @default.
- W2788013020 cites W2127291473 @default.
- W2788013020 cites W2154624655 @default.
- W2788013020 cites W2157058142 @default.
- W2788013020 cites W2167190902 @default.
- W2788013020 cites W2215629923 @default.
- W2788013020 cites W2326488030 @default.
- W2788013020 cites W2331500709 @default.
- W2788013020 cites W2338888865 @default.
- W2788013020 cites W2551927833 @default.
- W2788013020 cites W2563965271 @default.
- W2788013020 cites W2593634304 @default.
- W2788013020 cites W2950239415 @default.
- W2788013020 cites W2962794470 @default.
- W2788013020 cites W3098956375 @default.
- W2788013020 cites W69759804 @default.
- W2788013020 doi "https://doi.org/10.1088/1361-648x/aac79c" @default.
- W2788013020 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29794334" @default.
- W2788013020 hasPublicationYear "2018" @default.
- W2788013020 type Work @default.
- W2788013020 sameAs 2788013020 @default.
- W2788013020 citedByCount "9" @default.
- W2788013020 countsByYear W27880130202018 @default.
- W2788013020 countsByYear W27880130202019 @default.
- W2788013020 countsByYear W27880130202020 @default.
- W2788013020 countsByYear W27880130202021 @default.
- W2788013020 countsByYear W27880130202023 @default.
- W2788013020 crossrefType "journal-article" @default.
- W2788013020 hasAuthorship W2788013020A5046376217 @default.
- W2788013020 hasAuthorship W2788013020A5065661573 @default.
- W2788013020 hasBestOaLocation W27880130202 @default.
- W2788013020 hasConcept C106074065 @default.
- W2788013020 hasConcept C121332964 @default.
- W2788013020 hasConcept C121864883 @default.
- W2788013020 hasConcept C152365726 @default.
- W2788013020 hasConcept C171018156 @default.
- W2788013020 hasConcept C197162081 @default.
- W2788013020 hasConcept C2524010 @default.
- W2788013020 hasConcept C26873012 @default.
- W2788013020 hasConcept C2993125243 @default.
- W2788013020 hasConcept C3018272316 @default.
- W2788013020 hasConcept C33923547 @default.
- W2788013020 hasConcept C42704618 @default.
- W2788013020 hasConcept C54101563 @default.
- W2788013020 hasConcept C62520636 @default.
- W2788013020 hasConcept C69523127 @default.
- W2788013020 hasConcept C97355855 @default.
- W2788013020 hasConceptScore W2788013020C106074065 @default.
- W2788013020 hasConceptScore W2788013020C121332964 @default.
- W2788013020 hasConceptScore W2788013020C121864883 @default.
- W2788013020 hasConceptScore W2788013020C152365726 @default.
- W2788013020 hasConceptScore W2788013020C171018156 @default.
- W2788013020 hasConceptScore W2788013020C197162081 @default.
- W2788013020 hasConceptScore W2788013020C2524010 @default.