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Sökning: WFRF:(Chico Jonathan) > (2017) > Extended spin model...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00003725naa a2200373 4500
001oai:DiVA.org:kth-211618
003SwePub
008170810s2017 | |||||||||||000 ||eng|
009oai:DiVA.org:uu-331944
024a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-2116182 URI
024a https://doi.org/10.1103/PhysRevB.95.1844322 DOI
024a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3319442 URI
040 a (SwePub)kthd (SwePub)uu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
100a Pan, Fan,d 1987-u KTH,SeRC - Swedish e-Science Research Centre,Tillämpad fysik,KTH Royal Inst Technol, Dept Appl Phys, Sch Engn Sci, Electrum 229, SE-16440 Kista, Sweden.;KTH Royal Inst Technol, SeRC Swedish E Sci Res Ctr, SE-10044 Stockholm, Sweden.4 aut0 (Swepub:kth)u1zpe2tt
2451 0a Extended spin model in atomistic simulations of alloys
264 1b American Physical Society,c 2017
338 a print2 rdacarrier
500 a QC 20170810
520 a An extended atomistic spin model allowing for studies of the finite-temperature magnetic properties of alloys is proposed. The model is obtained by extending the Heisenberg Hamiltonian via a parametrization from a first-principles basis, interpolating from both the low-temperature ferromagnetic and the high-temperature paramagnetic reference states. This allows us to treat magnetic systems with varying degree of itinerant character within the model. Satisfactory agreement with both previous theoretical studies and experiments are obtained in terms of Curie temperatures and paramagnetic properties. The proposed model is not restricted to elements but is also applied to binary alloys, such as the technologically important material permalloy, where significant differences in the finite magnetic properties of Fe and Ni magnetic moments are found. The proposed model strives to find the right compromise between accuracy and computational feasibility for accurate modeling, even for complex magnetic alloys and compounds.
650 7a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng
700a Chico, Jonathanu Uppsala universitet,Materialteori,Forschungszentrum Julich, Peter Grnberg Inst Pgi 1, Inst Adv Simulat Ias 1, D-52425 Julich, Germany.;JARA, D-52425 Julich, Germany.4 aut0 (Swepub:uu)jonch948
700a Delin, Anna,d 1966-u Uppsala universitet,KTH,SeRC - Swedish e-Science Research Centre,Tillämpad fysik,Uppsala Univ, Sweden,Materialteori,KTH Royal Inst Technol, Dept Appl Phys, Sch Engn Sci, Electrum 229, SE-16440 Kista, Sweden.;KTH Royal Inst Technol, SeRC Swedish E Sci Res Ctr, SE-10044 Stockholm, Sweden.4 aut0 (Swepub:uu)ade14396
700a Bergman, Anders,d 1978-u Uppsala universitet,Materialteori,Univ Versailles, Univ Paris Sud, Maison Simulat, USR 3441,CEA,CNRS,INRIA, F-91191 Gif Sur Yvette, France.;CEA Grenoble, INAC MEM, F-38000 Grenoble, France.4 aut0 (Swepub:uu)anber121
700a Bergqvist, Lars,d 1976-u KTH,SeRC - Swedish e-Science Research Centre,Tillämpad fysik,KTH Royal Inst Technol, Dept Appl Phys, Sch Engn Sci, Electrum 229, SE-16440 Kista, Sweden.;KTH Royal Inst Technol, SeRC Swedish E Sci Res Ctr, SE-10044 Stockholm, Sweden.4 aut0 (Swepub:kth)u1klz1ts
710a KTHb SeRC - Swedish e-Science Research Centre4 org
773t Physical Review Bd : American Physical Societyg 95:18q 95:18x 2469-9950x 2469-9969
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-211618
8564 8u https://doi.org/10.1103/PhysRevB.95.184432
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-331944

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