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Electronic specific heat coefficient and magnetic properties of Y(Fe1-xCox)(2) Laves phases: A combined experimental and first-principles study
Polish Acad Sci, Inst Mol Phys, Ul M Smoluchowskiego 17, PL-60179 Poznan, Poland.
Polish Acad Sci, Inst Mol Phys, Ul M Smoluchowskiego 17, PL-60179 Poznan, Poland.
Polish Acad Sci, Inst Mol Phys, Ul M Smoluchowskiego 17, PL-60179 Poznan, Poland.
Polish Acad Sci, Inst Mol Phys, Ul M Smoluchowskiego 17, PL-60179 Poznan, Poland;Adam Mickiewicz Univ, Fac Phys, Uniwersytetu Poznanskiego 2, PL-61614 Poznan, Poland.
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2019 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 100, no 13, article id 134436Article in journal (Refereed) Published
Abstract [en]

We investigated experimentally and computationally the concentration dependence of the electronic specific heat coefficient gamma in the Y(Fe1-xCox)(2) pseudobinary Laves phase system. The experimentally observed maximum in gamma(x) around the magnetic phase transition was interpreted within the local density approximation combined with the virtual crystal approximation. To explain the formation of the observed maximum, we analyzed theoretically the dependence of the magnetic energy, magnetic moments, densities of states, and Fermi surfaces on the Co concentration. Furthermore, we carried out the calculations of the density of states (DOS) at the Fermi level as a function of fixed spin moment. The calculated Co concentration at which gamma takes the maximum value (x(max-LDA-VCA) = 0.91) stays in good agreement with the measured value (x(max-expt) = 0.925). We conclude that the observed maximum in gamma(x) results from the presence of the sharp DOS peak in the vicinity of the Fermi level.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2019. Vol. 100, no 13, article id 134436
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Condensed Matter Physics
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URN: urn:nbn:se:uu:diva-397299DOI: 10.1103/PhysRevB.100.134436ISI: 000493513000003OAI: oai:DiVA.org:uu-397299DiVA, id: diva2:1375925
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Swedish Research CouncilStandUpKnut and Alice Wallenberg FoundationAvailable from: 2019-12-06 Created: 2019-12-06 Last updated: 2019-12-06Bibliographically approved

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Rusz, JanEriksson, Olle

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