Synthesis, structure and chemical bonding of CaFe2−xRhxSi2 (x=0, 1.32, and 2) and SrCo2Si2

Hlukhyy, Viktor; Hoffmann, Andrea V.; Fässler, Thomas F.

doi:10.1016/j.jssc.2013.04.033

Cited by 12 publications

(18 citation statements)

References 44 publications

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“…At the lower energy region (−3 to −1 eV), the contribution from the P‐p orbitals is reduced. Similar features were observed by a comparison of the electronic structures of SrCo 2 Si 2 and CaCo 2 Si 2 or by analyzing the solid solutions Ca(Fe 1− x Ni x ) 2 As 2 and SrCo 2 (P 1− x Ge x ) 2 . However, whereas in the case of CaCo 2 Si 2 and CaFe 2 Si 2 an interlayer with strong covalent SiSi bonds is present , the structural collapse in Ca(Fe 1− x Ni x ) 2 As 2 and SrCo 2 (P 1 −x Ge x ) 2 is caused by the formation of metallic XX bonds .…”

Section: Resultssupporting

confidence: 72%

“…Similar features were observed by a comparison of the electronic structures of SrCo 2 Si 2 and CaCo 2 Si 2 or by analyzing the solid solutions Ca(Fe 1− x Ni x ) 2 As 2 and SrCo 2 (P 1− x Ge x ) 2 . However, whereas in the case of CaCo 2 Si 2 and CaFe 2 Si 2 an interlayer with strong covalent SiSi bonds is present , the structural collapse in Ca(Fe 1− x Ni x ) 2 As 2 and SrCo 2 (P 1 −x Ge x ) 2 is caused by the formation of metallic XX bonds . The shortening of the X – X distance ( X = P in the electronic structure calculations) along the z ‐axis in SrNi 2 (P 1− x Ge x ) 2 does not lead to a significant change of the band structure around the Fermi level, which is dominated mainly by Ni‐3 d orbitals.…”

Section: Resultssupporting

confidence: 72%

“…In the so-called collapsed tetragonal (cT) structures, these [TX] slabs display threedimensional [TX] networks via the formation of interlayer X-X bonds. However, the nature of this X-X interactions in the collapsed tetragonal structures is quite complicate and seems to be different in various structures [13][14][15][16][17].…”

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confidence: 99%

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Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

Hlukhyy

Hoffmann

Grinenko

et al. 2016

Physica Status Solidi (b)

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The solid solution SrNi2(P1−xGex)2 with ThCr2Si2‐type structure has been synthesized over the whole composition range by high‐temperature solid state reactions. Structure investigations were performed using X‐ray diffraction (XRD) methods. In addition, in situ temperature‐dependent powder XRD measurements down to 10 K were carried out for two SrNi2(P1−xGex)2 samples with x = 0.110(3) and 0.212(3), which indicate a temperature‐induced collapse of the structure of the first compound around 200 K. For both samples, superconductivity was detected above 1.8 K by magnetic, resistivity, and heat capacity measurements (TC ∼ 3.0 and 2.4 K, respectively). The crystal chemistry and the chemical bonding in the superconducting compounds are discussed in terms of linear muffin‐tin orbital (LMTO) band structure calculations including density of states (DOS), crystal orbital Hamilton populations (COHPs), and a topological analysis using the electron localization function (ELF).

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Section: Resultssupporting

confidence: 72%

Section: Resultssupporting

confidence: 72%

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Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

Hlukhyy

Hoffmann

Grinenko

et al. 2016

Physica Status Solidi (b)

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“…Interestingly, the compound MgNiGe (= MgNi 2-x Ge x with x = 1) crystallizes in the TiNiSi-type structure, [21] and due to its existence, it is rather unlikely that Laves phases MgNi 2-x Ge x with x Ͼ 1 will be observed.…”

Section: Articlementioning

confidence: 99%

The Influence of the Valence Electron Concentration on the Structural Variation of the Laves Phases MgNi_2–xGe_x

Siggelkow

Hlukhyy

Fässler

2017

Zeitschrift anorg allge chemie

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Abstract. The influence of the partial substitution of Ni atoms by the similarly sized but electron-richer Ge atoms with a similar electronegativity in the binary Laves phase MgNi 2 is investigated. A small degree of substitution in MgNi 2-x Ge x (x = 0.1) leads to the change of the hexagonal MgNi 2 -type structure (C36) to the cubic C15 type, whereas higher amounts of Ge lead to the formation of the two new Laves phases Mg 2 Ni 3 Ge and MgNi 1.30(5) Ge 0.70 , which were synthesized by the direct reaction of the elements in alumina and niobium crucibles using an induction furnace. The crystal structures of the two phases were determined by single-crystal X-ray diffraction. Mg 2 Ni 3 Ge (hR18-MgNi 2-x Ge x , x = 0.5) crystallizes in the Y 2 Rh 3 Ge-type structure, which

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“…According to previous research, most 122-type compounds involving alkali-earth metals, group 14 elements, and cobalt group elements (Co/Rh/Ir) adopt the body-centered tetragonal ThCr 2 Si 2 -type [18,26,27,28,29,30,31,32,33]. However, only two reported compounds, BaRh 2 Si 2 and BaIr 2 Si 2 , crystallize in BaRh 2 Si 2 -type structure [34].…”

Section: Resultsmentioning

confidence: 99%

Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds

et al. 2017

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A new 122-type phase, monoclinic BaIr2Ge2 is successfully synthesized by arc melting; X-ray diffraction and scanning electron microscopy are used to purify the phase and determine its crystal structure. BaIr2Ge2 adopts a clathrate-like channel framework structure of the monoclinic BaRh2Si2-type, with space group P21/c. Structural comparisons of clathrate, ThCr2Si2, CaBe2Ge2, and BaRh2Si2 structure types indicate that BaIr2Ge2 can be considered as an intermediate between clathrate and layered compounds. Magnetic measurements show it to be diamagnetic and non-superconducting down to 1.8 K. Different from many layered or clathrate compounds, monoclinic BaIr2Ge2 displays a metallic resistivity. Electronic structure calculations performed for BaIr2Ge2 support its observed structural stability and physical properties.

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Synthesis, structure and chemical bonding of CaFe2−xRhxSi2 (x=0, 1.32, and 2) and SrCo2Si2

Cited by 12 publications

References 44 publications

Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

The Influence of the Valence Electron Concentration on the Structural Variation of the Laves Phases MgNi_2–xGe_x

Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds

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Synthesis, structure and chemical bonding of CaFe2−xRhxSi2 (x=0, 1.32, and 2) and SrCo2Si2

Cited by 12 publications

References 44 publications

Structural instability and superconductivity in the solid solution SrNi2(P1−xGex)2

Structural instability and superconductivity in the solid solution SrNi2(P1−xGex)2

The Influence of the Valence Electron Concentration on the Structural Variation of the Laves Phases MgNi2–xGex

Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds

Contact Info

Product

Resources

About

Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

Structural instability and superconductivity in the solid solution SrNi₂(P_1−xGe_x)₂

The Influence of the Valence Electron Concentration on the Structural Variation of the Laves Phases MgNi_2–xGe_x