Matches in SemOpenAlex for { <https://semopenalex.org/work/W3106131173> ?p ?o ?g. }
- W3106131173 endingPage "47006" @default.
- W3106131173 startingPage "47006" @default.
- W3106131173 abstract "We use a density-functional-theory (DFT) approach with a modified Becke-Johnson exchange plus local density approximation (LDA) correlation potential (mBJLDA) [semi-local, orbital-independent, producing accurate semiconductor gaps. see F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] to investigate the electronic structures of zincblende transition-metal (TM) pnictides and chalcogenides akin to semiconductors. Our results show that this potential does not yield visible changes in wide TM d-t_{2g} bands near the Fermi level, but makes the occupied minority-spin p-bands lower by 0.25~0.35 eV and the empty (or nearly empty) minority-spin e_g bands across the Fermi level higher by 0.33~0.73 eV. Consequently, mBJLDA, having no atom-dependent parameters, makes zincblende MnAs become a truly half-metallic (HM) ferromagnet with a HM gap (the key parameter) 0.318eV, being consistent with experiment. For zincblende MnSb, CrAs, CrSb, CrSe, or CrTe, the HM gap is enhanced by 19~56% compared to LDA and generalized gradient approximation results. The improved HM ferromagnetism can be understood in terms of the mBJLDA-enhanced spin exchange splitting." @default.
- W3106131173 created "2020-11-23" @default.
- W3106131173 creator A5015492743 @default.
- W3106131173 creator A5073174130 @default.
- W3106131173 date "2011-02-01" @default.
- W3106131173 modified "2023-10-12" @default.
- W3106131173 title "Improved half-metallic ferromagnetism of transition-metal pnictides and chalcogenides calculated with a modified Becke-Johnson exchange potential" @default.
- W3106131173 cites W1481438292 @default.
- W3106131173 cites W1499169484 @default.
- W3106131173 cites W1964543711 @default.
- W3106131173 cites W1964567591 @default.
- W3106131173 cites W1966156734 @default.
- W3106131173 cites W1966928396 @default.
- W3106131173 cites W1969200114 @default.
- W3106131173 cites W1971305289 @default.
- W3106131173 cites W1972401082 @default.
- W3106131173 cites W1972847143 @default.
- W3106131173 cites W1973447562 @default.
- W3106131173 cites W1973710700 @default.
- W3106131173 cites W1976273232 @default.
- W3106131173 cites W1981368803 @default.
- W3106131173 cites W1983360017 @default.
- W3106131173 cites W1985532889 @default.
- W3106131173 cites W1989229951 @default.
- W3106131173 cites W1996845210 @default.
- W3106131173 cites W1997438513 @default.
- W3106131173 cites W2002062475 @default.
- W3106131173 cites W2004353974 @default.
- W3106131173 cites W2012613444 @default.
- W3106131173 cites W2014094922 @default.
- W3106131173 cites W2017453082 @default.
- W3106131173 cites W2017805851 @default.
- W3106131173 cites W2018105571 @default.
- W3106131173 cites W2025075251 @default.
- W3106131173 cites W2028746886 @default.
- W3106131173 cites W2030976617 @default.
- W3106131173 cites W2032912527 @default.
- W3106131173 cites W2037191080 @default.
- W3106131173 cites W2039943418 @default.
- W3106131173 cites W2040844136 @default.
- W3106131173 cites W2049079467 @default.
- W3106131173 cites W2050377361 @default.
- W3106131173 cites W2050711873 @default.
- W3106131173 cites W2051648115 @default.
- W3106131173 cites W2054839455 @default.
- W3106131173 cites W2057220111 @default.
- W3106131173 cites W2060418682 @default.
- W3106131173 cites W2065850379 @default.
- W3106131173 cites W2066904720 @default.
- W3106131173 cites W2073197383 @default.
- W3106131173 cites W2076204014 @default.
- W3106131173 cites W2078641563 @default.
- W3106131173 cites W2081765781 @default.
- W3106131173 cites W2082347469 @default.
- W3106131173 cites W2089892284 @default.
- W3106131173 cites W2092356208 @default.
- W3106131173 cites W2094718395 @default.
- W3106131173 cites W2095117446 @default.
- W3106131173 cites W2095467678 @default.
- W3106131173 cites W2142571994 @default.
- W3106131173 cites W2158785361 @default.
- W3106131173 cites W2230728100 @default.
- W3106131173 cites W2619609791 @default.
- W3106131173 cites W2949930789 @default.
- W3106131173 cites W4229724516 @default.
- W3106131173 cites W4255721001 @default.
- W3106131173 doi "https://doi.org/10.1209/0295-5075/93/47006" @default.
- W3106131173 hasPublicationYear "2011" @default.
- W3106131173 type Work @default.
- W3106131173 sameAs 3106131173 @default.
- W3106131173 citedByCount "95" @default.
- W3106131173 countsByYear W31061311732012 @default.
- W3106131173 countsByYear W31061311732013 @default.
- W3106131173 countsByYear W31061311732014 @default.
- W3106131173 countsByYear W31061311732015 @default.
- W3106131173 countsByYear W31061311732016 @default.
- W3106131173 countsByYear W31061311732017 @default.
- W3106131173 countsByYear W31061311732018 @default.
- W3106131173 countsByYear W31061311732019 @default.
- W3106131173 countsByYear W31061311732020 @default.
- W3106131173 countsByYear W31061311732021 @default.
- W3106131173 countsByYear W31061311732022 @default.
- W3106131173 countsByYear W31061311732023 @default.
- W3106131173 crossrefType "journal-article" @default.
- W3106131173 hasAuthorship W3106131173A5015492743 @default.
- W3106131173 hasAuthorship W3106131173A5073174130 @default.
- W3106131173 hasBestOaLocation W31061311732 @default.
- W3106131173 hasConcept C106773901 @default.
- W3106131173 hasConcept C108225325 @default.
- W3106131173 hasConcept C121332964 @default.
- W3106131173 hasConcept C134121241 @default.
- W3106131173 hasConcept C147120987 @default.
- W3106131173 hasConcept C149635348 @default.
- W3106131173 hasConcept C152365726 @default.
- W3106131173 hasConcept C161790260 @default.
- W3106131173 hasConcept C181966813 @default.
- W3106131173 hasConcept C185592680 @default.
- W3106131173 hasConcept C192562407 @default.