ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF THE Y (Fe1-xCox)2 ALLOYS

Eriksson, Olle; Johansson, B.; Brooks, M. S. S.

doi:10.1051/jphyscol:19888132

Cited by 2 publications

(3 citation statements)

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“…−1 [6]. The contributions to the total magnetic moment from Fe and Y atoms are equal to 1.51 µ B and -0.39 µ B , respectively, in qualitative agreement with the previous theoretical results (1.68 µ B and -0.43 µ B [24]). The calculated spin magnetic moment on Fe in YFe 2 (1.51 µ B ) is reduced in comparison to the measured spin magnetic moment of bcc-Fe, equal to 1.98 µ B [48].…”

Section: Magnetic Moments From Cpa and Ordered Compound Methodssupporting

confidence: 91%

“…To simulate the chemical disorder in theoretical models of the considered Y(Fe 1−x Co x ) 2 alloys three different methods were used: the coherent potential approximation (CPA) [32,33], the virtual crystal approximation (VCA) [25], and the ordered compound method (also called the supercell method) [24]. The density functional theory (DFT) calculations were conducted with the full-potential local-orbital scheme (FPLO) [34].…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

“…Moreover, the DyFe 2 /YFe 2 magnetic thin films are reversible exchange-spring magnets [20,21] and the YCo 2 alloys with rare-earth elements R 1−x Y x Co 2 (R = Er, Gd) are considered as magnetocaloric materials for application in magnetic refrigerators [22,23]. Our previous experimental and theoretical investigations on the Y(Fe 1−x Co x ) 2 system covered such issues as: magnetic moments of Y(Fe 1−x Co x ) 2 [24,25], electronic structure of YCo 2 [26,27], effect of YCo 2 doping [28], magnetic percolation in Y(Fe 1−x Co x ) 2 [29], Curie temperature of Y(Fe 1−x Co x ) 2 [30], and structural disorder in YCo 2 [31].…”

Section: Introductionmentioning

confidence: 99%

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Electronic specific heat coefficient and magnetic properties of Y(Fe1−xCox)2 Laves phases: A combined experimental and first

et al. 2019

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We investigated experimentally and computationally the concentration dependence of electronic specific heat coefficient γ in Y(Fe 1−x Cox) 2 pseudobinary Laves phase system. The experimentally observed maximum in γ(x) around the magnetic phase transition was interpreted within the local density approximation (LDA) combined with the virtual crystal approximation (VCA). 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 density of states at the Fermi level as a function of fixed spin moment. The calculated Co concentration at which γ 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 γ(x) results from the presence of the sharp DOS peak in the vicinity of the Fermi level. FIG. 1. Crystal structure of the cubic MgCu 2 -type Laves phase.

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Section: Magnetic Moments From Cpa and Ordered Compound Methodssupporting

confidence: 91%