The Magnetic Properties of Uranium Oxyselenide

Murasik, A.; Suski, W.; Troć, R.; Leciejewicz, J.

doi:10.1002/pssb.19680300107

Cited by 31 publications

(7 citation statements)

References 7 publications

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“…The position of the first excited level, (1) 1 , has turned out to be almost fixed in these simulations. Simultaneously, the positions of the 2 and (2) 1 levels have increased from 123 to 211 meV and (from 171 to 231 meV, respectively) and so has the overall splitting of the 3 H 4 term.…”

Section: Z Gajekmentioning

confidence: 98%

“…An = U, Np, X = O, N, Y = S, Se, Te [2][3][4][5][6][7][8][9][10][11][12][13]. The investigations have covered, among other things, the crystal structure [2][3][4][5][6][7][8], magnetic [2,3,[5][6][7][9][10][11], electric [2,8] and thermal [5,12] properties as well as spectroscopic properties investigated in terms of inelastic neutron scattering (INS) [11,13] or Mössbauer spectroscopy [6].…”

Section: Z Gajekmentioning

confidence: 99%

“…AOM parameters (meV) corresponding to the 'local' contributions to the CF potential. The U 4+ -Y 2− average parameters are defined by the expression e µ ≡ (4e Y (1) µ + e Y (2) µ )/5. The ligand averaged parameters are defined by e µ ≡ (4e 0 µ + 4e Y (1) µ the idea of cellular partitioning are not apparent for the considered systems containing nonequivalent groups of ligands.…”

Section: Approaches Based On the Cellular Decompositionmentioning

confidence: 99%

“…This looks quite promising in light of the observed energies of the INS transitions. A slight modification of the CF parameters adjusts the (1) 5 → 3 and (1) 5 → (2) 5 intervals to the experimental ones: 74 and 83 meV. A problem arises, however, when we tray to calculate intensities of these transitions: the above two lines have turned out to be too weak in comparison with those of the lower part of the calculated spectrum determined by the (1) 5 → (1) 1 and (1) 5 → 4 excitations.…”

Section: Z Gajekmentioning

confidence: 99%

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First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

Gajek¹

1999

J. Phys.: Condens. Matter

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A consistent description of the electronic structure of the U4+ (5f2 ) ion in the UOY (Y = S, Se, Te) compounds derived on the basis of a model first-principles calculation is presented. The crystal field potential is discussed in detail. Special attention is paid to contributions of non-equivalent ligand groups. Their competition and variation along the series explain apparently random total values of the crystal field parameters (CFPs). Discussion of an interplay of factors dependent on the coordination geometry and so called `intrinsic parameters' describing the separated metal-ligand (ML) linear ligators points to presumably rational ranges of actual values of CFP. Contrary to some earlier findings, the calculations evidence an approximate axial character of the crystal field potential. A dependence of the intrinsic parameters on the ML distance is examined thoroughly. The new numerical data show a dependence weaker than that reported before. At small ML distances, the intrinsic parameters behave in a manner characteristic of the metallic state. Some simplifications of the common phenomenological models suggested on the basis of the ab initio calculations open new possibilities of interpretation of complex magnetic and other properties of UOY. The obtained eigenstates of the uranium ion and simulated temperature characteristics of such quantities as the magnetic susceptibility or heat capacity may serve as good reference data. The crystal field (CF) parameters estimated from first principles have been used as starting data in the conventional phenomenological description of the recent inelastic neutron scattering (INS) data reported for UOS by Amoretti et al . In contrast to the earlier phenomenological approaches the effect of the term mixing has been taken into account. In initial steps of the fitting of the INS transition energies, a variation of the CF parameters has been restricted by using the angular overlap model. Then, the CF parameters have been refined to reproduce not only the observed energies of the INS transitions but also their relative intensities and the magnitude of the ordered magnetic moment. Other measurable quantities such as the temperature dependences of magnetic susceptibility or the Schottky contribution to the heat capacity restored according to the proposed CF model have been shown to agree satisfactorily with the corresponding experimental data. The CF scheme inferred here for UOS differs essentially from that proposed by Amoretti et al . However, the latter, recalculated in an extended function basis allowing for the term mixing, has been demonstrated to be not convergent with the original findings.

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Section: Z Gajekmentioning

confidence: 98%

Section: Z Gajekmentioning

confidence: 99%

Section: Approaches Based On the Cellular Decompositionmentioning

confidence: 99%

Section: Z Gajekmentioning

confidence: 99%

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First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

Gajek¹

1999

J. Phys.: Condens. Matter

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“…The diffuse nature of 5f electrons of U can lead to diverse electronic and magnetic properties. For example, the UOQ compounds (Q = S, Se) are semiconductors and antiferromagnets that display considerable magnetic anisotropy. − However, uranium oxychalcogenides are very difficult to synthesize because of the high stability of uranium oxides. The compounds denoted as (UO) 2 LnS 3 (Ln = Gd−Lu, Y) , and (UOS) 4 LuS are the only reported layered uranium oxychalcogenides besides UOQ (Q = S, Se, Te). ,− …”

Section: Introductionmentioning

confidence: 99%

Reinvestigation of the Uranium(3.5+) Rare-Earth Oxysulfides “(UO)₂LnS₃” (Ln = Yb, Y)

Jin

Choi²,

Ibers³

2009

Inorg. Chem.

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Dark-red square plates of the previously reported compounds "(UO)(2)LnS(3)" (Ln = Yb, Y) have been synthesized by solid-state reactions of UOS and YbS or Y(2)S(3) with Sb(2)S(3) as a flux at 1273 K. The structure of these isotypic compounds was reinvestigated by single-crystal X-ray diffraction methods and an inductively coupled plasma experiment. The actual formula of "(UO)(2)LnS(3)" (Ln = Yb, Y) is (U(0.5)Ln(0.5)O)(2)LnS(3), that is, ULn(2)O(2)S(3), which can be charge-balanced with U(4+) and Ln(3+). The layered structure comprises (U/Ln)O(4)S(4) square antiprisms alternating with LnS(6) octahedra. U and Ln1 atoms disorder on the eight-coordinate metal position, but Ln2 atoms occupy the six-coordinate metal position exclusively. UYb(2)O(2)S(3) is a modified Curie-Weiss paramagnet between 293 and 32 K, below which part of the paramagnetic moments go through a possible ferromagnetic transition. The band gaps of ULn(2)O(2)S(3) (Ln = Yb, Y) are around 2 eV.

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Neutron-diffraction study of UAsSe and USbSe

Leciejewicz¹,

Zygmunt

1972

Phys. Stat. Sol. (a)

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Neutron‐diffraction study of UAsSe and USbSe, both of PbFCl‐type crystal structure (space group P4/mnm) has been made at 4.2°K and room temperature. The position parameters u and z for uranium and selenium atoms, respectively, were determined for both compounds. Neutron‐diffraction patterns taken at 4.2°K revealed that these compounds have simple uniaxial ferromagnetic structure. The magnetic moment of uranium is aligned along the fourfold crystal axis. Its value is (1.5 ± 0.1) BM, both in UAsSe and USbSe.

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The Magnetic Properties of Uranium Oxyselenide

Abstract: A. M U R A S~

Cited by 31 publications

References 7 publications

First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

Reinvestigation of the Uranium(3.5+) Rare-Earth Oxysulfides “(UO)₂LnS₃” (Ln = Yb, Y)

Neutron-diffraction study of UAsSe and USbSe

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The Magnetic Properties of Uranium Oxyselenide

Abstract: A. M U R A S~

Cited by 31 publications

References 7 publications

First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

First-principles estimation of electronic structure of uranium oxychalcogenides UOY, Y = S, Se, Te. Application to the INS spectra of UOS

Reinvestigation of the Uranium(3.5+) Rare-Earth Oxysulfides “(UO)2LnS3” (Ln = Yb, Y)

Neutron-diffraction study of UAsSe and USbSe

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Reinvestigation of the Uranium(3.5+) Rare-Earth Oxysulfides “(UO)₂LnS₃” (Ln = Yb, Y)