000044955 001__ 44955
000044955 005__ 20170327111845.0
000044955 0247_ $$2doi$$a10.1063/1.4862163
000044955 0248_ $$2sideral$$a85398
000044955 037__ $$aART-2014-85398
000044955 041__ $$aeng
000044955 100__ $$aPlugaru, N.
000044955 245__ $$aFirst principles calculations, neutron, and x-ray diffraction investigation of Y3Ni13B2, Y3Co 13B2, and Y3Ni10Co3B 2
000044955 260__ $$c2014
000044955 5060_ $$aAccess copy available to the general public$$fUnrestricted
000044955 5203_ $$aFully relativistic calculations within the local spin density approximation and the generalized gradient approximation were performed to determine the local spin and orbital magnetic moments, as well as the magnetocrystalline anisotropy energy of Y3 Ni 13B2, Y3Co13B2, and Y3 Ni 10Co3B2 compounds. A weak in-plane magnetic anisotropy is determined for Y3 Ni 13B2, under the assumption of a crystallographic-like magnetic unit cell and collinear magnetic moments. The calculations predict considerable c-axis anisotropy for Y3Co13B2 and Y3 Ni 10Co3B2, but smaller than that of YCo5. The values of the magnetocrystalline anisotropy energy correlate well with both the magnitude of the orbital magnetic moment and the orbital magnetic moment anisotropy. The mixing between Co or Ni 3d states and B 2p states, observable at the bottom of the valence band of the 3d metal having a boron atom nearest neighbor, decreases the 3d spin and especially, the 3d orbital magnetic moments. Y3 Ni 13B2 and Y3 Ni 10Co3B2 were also investigated by powder neutron diffraction experiments, at temperatures between 1.8 and 249¿K. The Co and Ni site averaged magnetic moments calculated in the mixed compound are in fair agreement with the values obtained by the refinement of the magnetic contribution to the diffraction pattern.
000044955 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/MAT2011-27233-C02-02
000044955 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000044955 590__ $$a2.183$$b2014
000044955 591__ $$aPHYSICS, APPLIED$$b41 / 140 = 0.293$$c2014$$dQ2$$eT1
000044955 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000044955 700__ $$aValeanu, M.
000044955 700__ $$aPlugaru, R.
000044955 700__ $$0(orcid)0000-0002-3600-1721$$aCampo, J.$$uUniversidad de Zaragoza
000044955 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDepartamento de Física de la Materia Condensada$$cFísica de la Materia Condensada
000044955 773__ $$g115, 2 (2014), 023907 [8 pp]$$pJ. appl. physi.$$tJOURNAL OF APPLIED PHYSICS$$x0021-8979
000044955 8564_ $$s1488151$$uhttps://zaguan.unizar.es/record/44955/files/texto_completo.pdf$$yVersión publicada
000044955 8564_ $$s131829$$uhttps://zaguan.unizar.es/record/44955/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000044955 909CO $$ooai:zaguan.unizar.es:44955$$particulos$$pdriver
000044955 951__ $$a2016-01-20-15:11:35
000044955 980__ $$aARTICLE