2014
DOI: 10.1016/j.commatsci.2014.02.005
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Electronic structure of GdX2 (X=Fe, Co and Ni) intermetallic compounds studied by the GGA+U method

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Cited by 16 publications
(13 citation statements)
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“…The second Lorentz oscillator centered near 2.5 eV does not significantly modify the spectral dependence of Drude behavior due to its small amplitude. This points on the origin of Gd d-d electron transition 23,24 , since this transition should be forbidden with small oscillator strength.
Figure 2Real parts of diagonal elements of the permittivity tensor of the Gd x Fe (100-x) thin films.
Figure 3Imaginary parts of diagonal elements of the permittivity tensor of the Gd x Fe (100-x) thin films. The inset displays the dependence of the imaginary parts on Gd concentration at E = 2.8 eV.
…”
Section: Resultsmentioning
confidence: 97%
See 1 more Smart Citation
“…The second Lorentz oscillator centered near 2.5 eV does not significantly modify the spectral dependence of Drude behavior due to its small amplitude. This points on the origin of Gd d-d electron transition 23,24 , since this transition should be forbidden with small oscillator strength.
Figure 2Real parts of diagonal elements of the permittivity tensor of the Gd x Fe (100-x) thin films.
Figure 3Imaginary parts of diagonal elements of the permittivity tensor of the Gd x Fe (100-x) thin films. The inset displays the dependence of the imaginary parts on Gd concentration at E = 2.8 eV.
…”
Section: Resultsmentioning
confidence: 97%
“…The Fe 3d state lie around 1.5 eV below Fermi energy, while Gd 5d states are situated approx. 0.5 eV above the Fermi energy 23,24 . The second Lorentz oscillator centered near 2.5 eV does not significantly modify the spectral dependence of Drude behavior due to its small amplitude.…”
Section: Resultsmentioning
confidence: 98%
“…using all-electron full-potential linear muffin-tin orbital method with GGA+U. 30 The magnetic moment for Co is calculated as 1.286B, compared with the value of 1.175B reported by B.…”
Section: Electronic Structure Of Mgcu2-type Gdco2mentioning
confidence: 96%
“…Previous experimental and theoretical studies of MgCu2-type GdX2 (X = Fe, Co, Ni) compounds have shown that the individual Gd magnetic moments are ferromagnetically coupled, so Gd was treated in the same way in these calculations. [30][31][32] The magnetic moment on each Gd in GdCo2 is calculated by LSDA+U (, parameters set tofor Gd: U = 6.70 eV and J = 0.70 eV, 37 ) as 7.405B compared to 7.433B, which was calculated by B. Zegaou et al…”
Section: Electronic Structure Of Mgcu2-type Gdco2mentioning
confidence: 99%
“…Для интерметаллидов GdFe 2 и LuFe 2 рядом авторов были выполнены вычисления электронной структуры [12][13][14][15][16][17][18][19], показавшие, что вблизи уровня Ферми происходит сильная гибридизация широких 3d-зон железа и 5d-зон редкоземельного металла, тогда как 4 f -зоны Gd и Lu локализованы в узких областях энергий. На основе таких расчетов были интерпретированы результаты по исследованию фотоэмиссии и поглощения рент-геновского излучения [20][21][22].…”
Section: Introductionunclassified