Browsing by Author "Prots, Yurii"

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Intermediate-Valence Ytterbium Compound Yb4Ga24Pt9: Synthesis, Crystal Structure, and Physical Properties
(2017-08-07)
Sichevych, Olga
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Prots, Yurii
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Utsumi, Yuki
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Akselrud, Lev
;
Schmidt, Marcus
The title compound was synthesized by a reaction of the elemental educts in a corundum crucible at 1200 degrees C under an Ar atmosphere. The excess of Ga used in the initial mixture served as a flux for the subsequent crystal growth at 600 degrees C. The crystal structure of Yb4Ga24Pt9 was determined from single-crystal X-ray diffraction data: new prototype of crystal structure, space group C2/m, Pearson symbol mS74, a = 7.4809(1) angstrom, b = 12.9546(2) angstrom, c = 13.2479(2) angstrom, beta = 100.879(1)degrees, V = 1260.82(6) angstrom(3), R-F = 0.039 for 1781 observed reflections and 107 variable parameters. The structure is described as an ABABB stacking of two slabs with trigonal symmetry and compositions Yb4Ga6 (A) and Ga12Pt6 (B). The hard. X-ray photoelectron spectrum (HAXPES) of Yb4Ga24Pt9 shows both Yb2+ and Yb3+ contributions as evidence of an intermediate valence state of ytterbium The evaluated Yb valence of similar to 2.5 is in good agreement with the results obtained from the magnetic susceptibility measurements. The compound is, a bad metallic conductor.
Synthesis and Characterization of Ba[CoSO]: Magnetic Complexity in the Presence of Chalcogen Ordering
(2015-07-20)
Valldor, Martin
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Roessler, Ulrich K.
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Prots, Yurii
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Kuo, Chang-Yang
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Chiang, Jen-Che
Barium thio-oxocobaltate(II), Ba[CoS2/2O2/2], was synthesized by the reaction of equimolar amounts of BaO, Co, and S in closed silica ampoules. The title compound (Cmcm, a=3.98808(3), b=12.75518(9), c=6.10697(4)angstrom) is isostructural to Ba[ZnSO]. The use of soft X-ray absorption spectroscopy confirmed that cobalt is in the oxidation state +2 and tetrahedrally coordinated. Its coordination consists of two sulfur and two oxygen atoms in an ordered fashion. High-temperature magnetic susceptibility data indicate strong low-dimensional spin-spin interactions, which are suggested to be closely related to the layer-type crystal structure and perhaps the ordered distribution of sulfur and oxygen. Antiferromagnetic ordering below T-N=222K is observed as an anomaly in the specific heat, coinciding with a significant lowering of the magnetic susceptibility. Density functional theory calculations within a generalized-gradient approximation (GGA)+U approach identify an antiferromagnetic ground state within the square-like two-dimensional layers of Co, and antiferromagnetic correlations for nearest and next nearest neighbors along bonds mediated by oxygen or sulfur. However, this magnetic state is subject to frustration by relatively strong interlayer couplings.