Matches in SemOpenAlex for { <https://semopenalex.org/work/W2028821340> ?p ?o ?g. }
- W2028821340 endingPage "367" @default.
- W2028821340 startingPage "364" @default.
- W2028821340 abstract "In order to study the stability and the magnetic properties of the molecule-based magnetic compound [Mn2(dpp)2(H2O)2Cl4]⋅2H2O,dpp=2, 3-bis(2-pyridyl) pyrazine, we employ the full potential linearized augmented plane-wave method within the generalized gradient approximation (GGA) to calculate the total energy, the magnetic moments and the electronic structure for the title compound. The calculations reveal that the compound [Mn2(dpp)2(H2O)2Cl4]⋅2H2O,dpp=2,3-bis(2-pyridyl) pyrazine has stable ferromagnetic ground state, and the spin magnetic moment per molecule is about 9.8μB, which mainly comes from the Mn. There exists a dominant intra-molecule ferromagnetic interaction through the double chloro-bridge between Mn2+ ions. The total density of states show this compound is a semiconductor. The computation is in agreement with the experiment." @default.
- W2028821340 created "2016-06-24" @default.
- W2028821340 creator A5037546442 @default.
- W2028821340 creator A5049154192 @default.
- W2028821340 creator A5054042118 @default.
- W2028821340 creator A5056678476 @default.
- W2028821340 date "2008-02-01" @default.
- W2028821340 modified "2023-09-27" @default.
- W2028821340 title "Ab initio studies on the stability, magnetic property and electronic structure of the molecule-based magnet: [Mn2(dpp)2(H2O)2Cl4] ⋅ 2H2O,dpp=2,3-bis(2-paridyl) pyrazine" @default.
- W2028821340 cites W1501145371 @default.
- W2028821340 cites W1602639107 @default.
- W2028821340 cites W1823409394 @default.
- W2028821340 cites W1978958540 @default.
- W2028821340 cites W1981368803 @default.
- W2028821340 cites W1983979420 @default.
- W2028821340 cites W1992677847 @default.
- W2028821340 cites W1994808076 @default.
- W2028821340 cites W1999304304 @default.
- W2028821340 cites W2000738312 @default.
- W2028821340 cites W2003048867 @default.
- W2028821340 cites W2004722912 @default.
- W2028821340 cites W2017218551 @default.
- W2028821340 cites W2021331456 @default.
- W2028821340 cites W2034969051 @default.
- W2028821340 cites W2039355936 @default.
- W2028821340 cites W2043738901 @default.
- W2028821340 cites W2044814053 @default.
- W2028821340 cites W2051834877 @default.
- W2028821340 cites W2054739337 @default.
- W2028821340 cites W2059095047 @default.
- W2028821340 cites W2059290636 @default.
- W2028821340 cites W2066223077 @default.
- W2028821340 cites W2069063733 @default.
- W2028821340 cites W2081390849 @default.
- W2028821340 cites W2086927516 @default.
- W2028821340 cites W2089740902 @default.
- W2028821340 cites W2090155847 @default.
- W2028821340 cites W2104296955 @default.
- W2028821340 cites W2142836522 @default.
- W2028821340 cites W2169349897 @default.
- W2028821340 cites W2479048415 @default.
- W2028821340 cites W2951672535 @default.
- W2028821340 doi "https://doi.org/10.1016/j.ssc.2007.11.029" @default.
- W2028821340 hasPublicationYear "2008" @default.
- W2028821340 type Work @default.
- W2028821340 sameAs 2028821340 @default.
- W2028821340 citedByCount "2" @default.
- W2028821340 crossrefType "journal-article" @default.
- W2028821340 hasAuthorship W2028821340A5037546442 @default.
- W2028821340 hasAuthorship W2028821340A5049154192 @default.
- W2028821340 hasAuthorship W2028821340A5054042118 @default.
- W2028821340 hasAuthorship W2028821340A5056678476 @default.
- W2028821340 hasConcept C121332964 @default.
- W2028821340 hasConcept C16889073 @default.
- W2028821340 hasConcept C178790620 @default.
- W2028821340 hasConcept C183971685 @default.
- W2028821340 hasConcept C184779094 @default.
- W2028821340 hasConcept C185592680 @default.
- W2028821340 hasConcept C26873012 @default.
- W2028821340 hasConcept C2777765701 @default.
- W2028821340 hasConcept C2781442258 @default.
- W2028821340 hasConcept C32909587 @default.
- W2028821340 hasConcept C54553102 @default.
- W2028821340 hasConcept C69523127 @default.
- W2028821340 hasConcept C71240020 @default.
- W2028821340 hasConcept C8010536 @default.
- W2028821340 hasConcept C82217956 @default.
- W2028821340 hasConceptScore W2028821340C121332964 @default.
- W2028821340 hasConceptScore W2028821340C16889073 @default.
- W2028821340 hasConceptScore W2028821340C178790620 @default.
- W2028821340 hasConceptScore W2028821340C183971685 @default.
- W2028821340 hasConceptScore W2028821340C184779094 @default.
- W2028821340 hasConceptScore W2028821340C185592680 @default.
- W2028821340 hasConceptScore W2028821340C26873012 @default.
- W2028821340 hasConceptScore W2028821340C2777765701 @default.
- W2028821340 hasConceptScore W2028821340C2781442258 @default.
- W2028821340 hasConceptScore W2028821340C32909587 @default.
- W2028821340 hasConceptScore W2028821340C54553102 @default.
- W2028821340 hasConceptScore W2028821340C69523127 @default.
- W2028821340 hasConceptScore W2028821340C71240020 @default.
- W2028821340 hasConceptScore W2028821340C8010536 @default.
- W2028821340 hasConceptScore W2028821340C82217956 @default.
- W2028821340 hasIssue "7-8" @default.
- W2028821340 hasLocation W20288213401 @default.
- W2028821340 hasOpenAccess W2028821340 @default.
- W2028821340 hasPrimaryLocation W20288213401 @default.
- W2028821340 hasRelatedWork W1984713935 @default.
- W2028821340 hasRelatedWork W1990770536 @default.
- W2028821340 hasRelatedWork W2007342266 @default.
- W2028821340 hasRelatedWork W2044987776 @default.
- W2028821340 hasRelatedWork W2063388522 @default.
- W2028821340 hasRelatedWork W2126928909 @default.
- W2028821340 hasRelatedWork W2135039221 @default.
- W2028821340 hasRelatedWork W2321477026 @default.
- W2028821340 hasRelatedWork W2362357779 @default.
- W2028821340 hasRelatedWork W2903005569 @default.
- W2028821340 hasVolume "145" @default.
- W2028821340 isParatext "false" @default.