The {Y, Pr}–Ag–Si systems: isothermal sections and crystal structures

Savysyuk, I.; SHCHERBAN, Oleh; SEMUSO, Nataliya; Gladyshevskii, R.; Gladyshevskii, E.I.

doi:10.30970/cma5.0219

Cited by 4 publications

(3 citation statements)

References 11 publications

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“…In the system with Y, no significant solubility of the third component in the binary compounds was observed. The five ternary compounds, namely YAg2Si2 (CeAl2Ga2type), YAg1.4-1.0Si0.6-1.0 (Fe2P/ZrNiAl-type), YAg0.7Si1.3 (AlB2-type), YAg0.6Si1.4 (α-ThSi2-type) and YAg0.4-0.2Si1.6-1.8) (α-ThSi2-type exist in the Y-Ag-Si system at 600 °C [4,5].…”

Section: Resultsmentioning

confidence: 99%

“…Most of such systems were studied in some detail. The isothermal sections of the phase diagrams have been constructed for the following systems: La-Ag-Si at 500 °C (2 compounds) [1]; Ce-Ag-Si at 850 °C (3 compounds) ant at 500°C (3 compounds) [2,3]; Pr-Ag-Si at 800 °C (2 compounds) and at 500 °C (3 compounds) [4,5]; Nd-Ag-Si at 600 °C (4 compounds) [6]; Eu-Ag-Si at 400 °C (2 compounds) [3]; Y-Ag-Si at 600 °C (5 compounds) [4,5]. Hence, all these systems were characterized by formation of small number of ternary compounds.…”

Section: Introductionmentioning

confidence: 99%

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Interaction of Components in the Lu-Ag-Si System at 500 ºC

Belan

Dzevenko

Daszkiewicz

et al. 2021

Phys. Chem. Solid St.

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Isothermal section of the Lu-Ag-Si system at 500ºC was studied by means of X-ray powder diffraction, microstructure and EDX-analyses in the whole concentration range. The existence of earlier reported binary compounds LuAg4, LuAg2, LuAg and LuSi2, LuSi, Lu5Si3, Lu5Si4 was confirmed. New binary compound Lu3Si5 (own str. type) was found. Almost none of the binary silicides dissolve more than 5 at.% of third component. The exception is the existence of the substitution type solid solutions based on LuAg2 (MoSi2-type structure), which dissolves up to 20 at.% Si, as well as on Lu5Si3 (Mn5Si3-type structure), which dissolves up to 15 at.% Ag. The crystal structure of the LuSi compound was redetermined by X-ray single crystal diffraction (TlI-type, space group Cmcm, a = 4.1493(3), b = 10.2641(7), c = 3.7518(2) Å, R = 0.0173, wR = 0.0415 for 173 independent reflections). No ternary compound is observed in the Lu-Ag-Si system.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Interaction of Components in the Lu-Ag-Si System at 500 ºC

Belan

Dzevenko

Daszkiewicz

et al. 2021

Phys. Chem. Solid St.

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“…In [16] the structure of the binary compound Zr 3 Si 2 was studied on powder diffraction data and the unitcell parameters were refined ( Table 2). The unit-cell parameters of the Pr 5 Si 3 compound have several times been refined on polycrystalline samples [3,13,[20][21][22][23][24][25][26][27]. In [2] the crystal structure was determined on single crystals grown by the floating zone technique with optical heating.…”

Section: Introductionmentioning

confidence: 99%

Structure refinements of the compounds Pr5Si3 and Zr3Si2

Boyko¹,

Muts²,

Muts³

et al. 2014

Chem. Met. Alloys

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The structures of the compounds Pr 5 Si 3 and Zr 3 Si 2 were refined on X-ray single-crystal diffraction data. Pr 5 Si 3 crystallizes with the tetragonal structure type Cr 5 B 3 : space group I4/mcm, Pearson symbol tI32, a = 0.7820(1), c = 1.3812(3) nm, Z = 4, R1 = 0.035, wR2 = 0.080 for 287 unique reflections, 16 refined parameters. Zr 3 Si 2 crystallizes with the tetragonal structure type U 3 Si 2 : Pearson symbol tP10, space group P4/mbm, a = 0.7087(1), c = 0.37060(7) nm, Z = 2, R1 = 0.022, wR2 = 0.042 for 114 unique reflections, 12 refined parameters.

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Monopole mining method for high-throughput screening for Weyl semimetals

Иванов

Savrasov

2019

Phys. Rev. B

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Although topological invariants have been introduced to classify the appearance of protected electronic states at surfaces of insulators, there are no corresponding indexes for Weyl semimetals whose nodal points may appear randomly in the bulk Brillouin Zone (BZ). Here we use a well-known result that every Weyl point acts as a Dirac monopole and generates integer Berry flux to search for the monopoles on rectangular BZ grids that are commonly employed in self-consistent electronic structure calculations. The method resembles data mining technology of computer science and is demonstrated on locating the Weyl points in known Weyl semimetals. It is subsequently used in high throughput screening several hundreds of compounds and predicting a dozen new materials hosting nodal Weyl points and/or lines. PACS numbers:There has been recent surge of interest in topological quantum materials caused by the existence in these systems of robust electronic states insensitive to perturbations [1, 2]. Z 2 invariants have been proposed to detect the protected (quantum Hall-like) surface states in topological insulators (TIs) [3], and, for centrosymmetric crystals, this reduces to finding band parities of electronic wave functions at time-reversal invariant points in the Brillouin zone (BZ) [4]. For a general case, the calculation involves an integration of Berry fields [5], and has been implemented in numerical electronic structure calculations[6] with density functional theory. These methods have allowed for exhaustive searches to identify candidate materials hosting topological insulator phases [7][8][9].Weyl semimetals (WSMs) are closely related systems characterized by a bulk band structure which is fully gapped except at isolated points described by the 2x2 Weyl Hamiltonian [2]. Sometimes these Weyl points extend into lines in the BZ giving rise to nodal line semimetals (NLSMs) [10]. Due to their intriguing properties such as Fermi arc surface states [11], chiral anomaly induced negative magnetoresistance [12], and a semiquantized anomalous Hall effect [13,14], the search for new WSM materials is currently very active. Unfortunately, their identification in infinite space of chemically allowed compounds represents a challenge: there is no corresponding topological index characterizing WSM phase, and the Weyl points may appear randomly in the bulk BZ. General principles, such as broken time reversal or inversion symmetry, or emergence of the WSM phase between topologically trivial and non-trivial insulating phases [11] are too vague to guide their high throughput screening, and recent group theoretical arguments [15,16] to connect crystal symmetry with topological properties still await their practical realization. The progress in this field was mainly serendipitous, although the ideas based on band inversion mechanism [17] or analyzing mirror Chern numbers [18,19] were proven to be useful in FIG. 1: a. A typical cone dispersion relationship E(k)=±v|k − k WP | for the Weyl point plotted within a rectangular area in k-space se...

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The {Y, Pr}–Ag–Si systems: isothermal sections and crystal structures

Cited by 4 publications

References 11 publications

Interaction of Components in the Lu-Ag-Si System at 500 ºC

Interaction of Components in the Lu-Ag-Si System at 500 ºC

Structure refinements of the compounds Pr5Si3 and Zr3Si2

Monopole mining method for high-throughput screening for Weyl semimetals

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