Features of the magnetic state of ƒ electrons in the stabilized δ phase of the Pu0.95Ga0.05 alloy

Verkhovskiǐ, S. V.; Архипов, В. Е.; Zuev, Yu. N.; Piskunov, Yu. V.; Михалев, К. Н.; Королев, А. В.; Svyatov, I. L.; Pogudin, A.; Ogloblichev, V. V.; Buzlukov, A. L.

doi:10.1134/1.2086131

Cited by 12 publications

(22 citation statements)

References 7 publications

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“…The implementation of the LDA + DMFT method is necessary for a more accurate description of the magnitudes of local moments in the paramagnetic phase of Pu. The results of calculations explain the presence of magnetic moment in aged Pu samples and agree well with experimental data [6,11,12]. …”

Section: Vacancy and Interstitial Plutonium At Large Distancesupporting

confidence: 78%

“…In the final state, the calculated values of orbital and spin moments are (9) (10) These formulas allow determining the value of the coefficient y. An effective paramagnetic moment obtained from susceptibility measurements using the Curie Weiss law can be calculated as (11) The problem is to define the Lande g factor that can be calculated for pure f 5 and f 6 configurations in the LS or jj coupling schemes. For the f 6 configura tion, the total moment J = 0, and we therefore need to calculate the g factor for the f 5 configuration only.…”

Section: Interstitial Plutonium Atom In a 32 Atom Supercellmentioning

confidence: 99%

“…Impurities like Al and Ga that are used to stabilize the fcc phase of Pu act in the same way. Several groups report the presence of the ordered magnetic moment in aged Pu-Al and Pu-Ga alloys [10][11][12]. The magnitude of moments is small, ≤10 -3 μ B ( [10])-0.15 μ B ( [11,12]), and these moments could arise due to distortion of the crystal structure near interstitial Pu atoms and vacancies.…”

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confidence: 99%

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The influence of defects on magnetic properties of fcc-Pu

Шориков

Анисимов

Korotin

et al. 2013

J. Exp. Theor. Phys.

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Abstract-The influence of vacancies and interstitial atoms on magnetism in Pu is considered in the frame work of the density functional theory. The crystal structure relaxation arising due to various types of defects is calculated using the molecular dynamics method with a modified embedded atom model. The local density approximation with explicit inclusion of Coulomb and spin-orbit interactions is applied in matrix invariant form to describe correlation effects in Pu with these types of defects. The calculations show that both vacan cies and interstitials give rise to local moments in the f shell of Pu in good agreement with experimental data for aged Pu. Magnetism appears due to the destruction of a delicate balance between spin-orbit and exchange interactions.

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Section: Vacancy and Interstitial Plutonium At Large Distancesupporting

confidence: 78%

Section: Interstitial Plutonium Atom In a 32 Atom Supercellmentioning

confidence: 99%

mentioning

confidence: 99%

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The influence of defects on magnetic properties of fcc-Pu

Шориков

Анисимов

Korotin

et al. 2013

J. Exp. Theor. Phys.

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“…The magnitude of K μ ≈ 320 ppm is roughly consistent with NMR shifts measured in a ␦-Pu sample with 5.0 at.% Ga [12,13]. In the NMR experiments the hyperfine field was estimated to be 2.8 kOe/μ B and the Knight shift varied between about 500-700 ppm.…”

Section: Resultsmentioning

confidence: 69%

“…Thus, materials containing the more stable actinide atoms have received greater attention. For example, interest in 5f-electron materials in general has been strong since the discovery of heavy fermion superconductivity in UBe 13 [1] and UPt 3 [2] decades ago. Interest in Pu compounds, however, has recently taken root outside of the small 'Pu community' with the discovery of superconductivity in PuMGa 5 , M = Co [3] and Rh [4].…”

Section: Introductionmentioning

confidence: 99%