Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076673656> ?p ?o ?g. }
- W2076673656 endingPage "858" @default.
- W2076673656 startingPage "855" @default.
- W2076673656 abstract "The d0 ferromagnetism of MgO containing neutral point defects has been investigated using the first-principles method. The generalized gradient approximation (GGA), local density approximation (LDA) and local density approximation with on-site effect U (LDA+U) schemes were employed to describe the exchange correlation energy. Undoped MgO is found to be nonmagnetic. Neutral oxygen vacancies in the supercell induce no ferromagnetism, while neutral Mg vacancies could bring about large magnetic moments. The spin polarization of 2p electrons of oxygen atoms is responsible for the induced magnetic moments. The ferromagnetic moments enhance with an increase of the concentration of VMg0 vacancies. Ferromagnetism depends sensitively on the distribution of Mg vacancies. There may be a preferable occupation for VMg0 vacancies in the MgO lattice. The LDA+U calculation indicates that a concentration of 6.25% VMg0 vacancies could convert the MgO insulator to half-metal. Our results may be valid for the region near the surface of nanograins." @default.
- W2076673656 created "2016-06-24" @default.
- W2076673656 creator A5008373265 @default.
- W2076673656 creator A5018898932 @default.
- W2076673656 creator A5029711715 @default.
- W2076673656 creator A5062642187 @default.
- W2076673656 creator A5077258816 @default.
- W2076673656 creator A5080787409 @default.
- W2076673656 creator A5083167888 @default.
- W2076673656 creator A5086935995 @default.
- W2076673656 date "2009-06-01" @default.
- W2076673656 modified "2023-09-27" @default.
- W2076673656 title "First-principles study of magnetism driven by intrinsic defects in MgO" @default.
- W2076673656 cites W110030285 @default.
- W2076673656 cites W1554859045 @default.
- W2076673656 cites W1577322417 @default.
- W2076673656 cites W1976916043 @default.
- W2076673656 cites W1977383425 @default.
- W2076673656 cites W1978571574 @default.
- W2076673656 cites W1979314093 @default.
- W2076673656 cites W1979544533 @default.
- W2076673656 cites W1986285196 @default.
- W2076673656 cites W1988226632 @default.
- W2076673656 cites W1989016308 @default.
- W2076673656 cites W1990181743 @default.
- W2076673656 cites W1998083305 @default.
- W2076673656 cites W2002362341 @default.
- W2076673656 cites W2007255826 @default.
- W2076673656 cites W2008243755 @default.
- W2076673656 cites W2016634462 @default.
- W2076673656 cites W2019158985 @default.
- W2076673656 cites W2019326057 @default.
- W2076673656 cites W2019962656 @default.
- W2076673656 cites W2024898133 @default.
- W2076673656 cites W2036113194 @default.
- W2076673656 cites W2051751204 @default.
- W2076673656 cites W2071037615 @default.
- W2076673656 cites W2078703036 @default.
- W2076673656 cites W2079105963 @default.
- W2076673656 cites W2088553796 @default.
- W2076673656 cites W2088564388 @default.
- W2076673656 cites W2090705553 @default.
- W2076673656 cites W2118022273 @default.
- W2076673656 cites W2157058142 @default.
- W2076673656 cites W2597970356 @default.
- W2076673656 cites W2937753200 @default.
- W2076673656 cites W3206606417 @default.
- W2076673656 cites W4244189805 @default.
- W2076673656 doi "https://doi.org/10.1016/j.ssc.2009.03.010" @default.
- W2076673656 hasPublicationYear "2009" @default.
- W2076673656 type Work @default.
- W2076673656 sameAs 2076673656 @default.
- W2076673656 citedByCount "79" @default.
- W2076673656 countsByYear W20766736562012 @default.
- W2076673656 countsByYear W20766736562013 @default.
- W2076673656 countsByYear W20766736562014 @default.
- W2076673656 countsByYear W20766736562015 @default.
- W2076673656 countsByYear W20766736562016 @default.
- W2076673656 countsByYear W20766736562017 @default.
- W2076673656 countsByYear W20766736562018 @default.
- W2076673656 countsByYear W20766736562019 @default.
- W2076673656 countsByYear W20766736562020 @default.
- W2076673656 countsByYear W20766736562021 @default.
- W2076673656 countsByYear W20766736562022 @default.
- W2076673656 countsByYear W20766736562023 @default.
- W2076673656 crossrefType "journal-article" @default.
- W2076673656 hasAuthorship W2076673656A5008373265 @default.
- W2076673656 hasAuthorship W2076673656A5018898932 @default.
- W2076673656 hasAuthorship W2076673656A5029711715 @default.
- W2076673656 hasAuthorship W2076673656A5062642187 @default.
- W2076673656 hasAuthorship W2076673656A5077258816 @default.
- W2076673656 hasAuthorship W2076673656A5080787409 @default.
- W2076673656 hasAuthorship W2076673656A5083167888 @default.
- W2076673656 hasAuthorship W2076673656A5086935995 @default.
- W2076673656 hasConcept C121332964 @default.
- W2076673656 hasConcept C136498428 @default.
- W2076673656 hasConcept C147120987 @default.
- W2076673656 hasConcept C153294291 @default.
- W2076673656 hasConcept C164675345 @default.
- W2076673656 hasConcept C174771821 @default.
- W2076673656 hasConcept C178790620 @default.
- W2076673656 hasConcept C185592680 @default.
- W2076673656 hasConcept C192562407 @default.
- W2076673656 hasConcept C197162081 @default.
- W2076673656 hasConcept C21690051 @default.
- W2076673656 hasConcept C26873012 @default.
- W2076673656 hasConcept C540031477 @default.
- W2076673656 hasConcept C54553102 @default.
- W2076673656 hasConcept C62520636 @default.
- W2076673656 hasConcept C80316258 @default.
- W2076673656 hasConcept C82217956 @default.
- W2076673656 hasConcept C86025842 @default.
- W2076673656 hasConcept C9249130 @default.
- W2076673656 hasConceptScore W2076673656C121332964 @default.
- W2076673656 hasConceptScore W2076673656C136498428 @default.
- W2076673656 hasConceptScore W2076673656C147120987 @default.
- W2076673656 hasConceptScore W2076673656C153294291 @default.
- W2076673656 hasConceptScore W2076673656C164675345 @default.