Superconductivity in Hexagonal BaPtAs: SrPtSb- and YPtAs-type Structures with Ordered Honeycomb Network

Kudo, Kazuhiro; Takeuchi, Takaaki; Ota, Hiromi; Saito, Yuki; Ayukawa, Shin Ya; Fujimura, Kikuo; Nohara, M.

doi:10.7566/jpsj.87.073708

Cited by 19 publications

(26 citation statements)

References 21 publications

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“…This is rather different with that observed for PdTe 2 [45,46] and PbTaSe 2 [47,48], where the differences were attributed to possible surface contributions. The fitted µ 0 H c2 (0) of CaPtAs is smaller than that of BaPtAs, where the extrapolated µ 0 H c2 (0) is 0.55 T for the SrPtSb-type structure, and 3 T (or 0.5 T) for the YPtAs-type phase [36]. Both the Ginzburg-Landau (GL) model [49] and Werthamer-Helfand-Hohenberg (WHH) model [50] were applied to analyze the upper critical field.…”

Section: In-field Superconducting Propertiesmentioning

confidence: 99%

CaPtAs: A new noncentrosymmetric superconductor

Xie

Zhang

Shen

et al. 2020

Sci. China Phys. Mech. Astron.

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We report the discovery of a new noncentrosymmetric superconductor CaPtAs. It crystallizes in a tetragonal structure (space group I41md, No. 109), featuring three dimensional honeycomb networks of Pt-As and a much elongated c-axis (a = b = 4.18Å, and c = 43.70Å). The superconductivity of CaPtAs with Tc = 1.47 K was characterized by means of electrical resistivity, specific heat, and ac magnetic susceptibility. The electronic specific heat Ce(T )/T shows evidence for a deviation from the behavior of a conventional BCS superconductor, and can be reasonably fitted by a p-wave model. The upper critical field µ0Hc2 of CaPtAs exhibits a relatively large anisotropy, with an in-plane value of around 204 mT and an out-of-plane value of 148 mT. Density functional theory calculations indicate that the Pt-5d and As-4p orbitals mainly contribute to the density of states near the Fermi level, showing that the Pt-As honeycomb networks may significantly influence the superconducting properties. PACS number(s):

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Section: In-field Superconducting Propertiesmentioning

confidence: 99%

CaPtAs: A new noncentrosymmetric superconductor

Xie

Zhang

Shen

et al. 2020

Sci. China Phys. Mech. Astron.

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“…Then, the values of bulk modulus (B) and its pressure derivative (B ) for both phases of BaPtAs have been attained by minimizing the crystal total energy for different values of the crystal volume by means of the Murnaghan equation of state [52]. Table I presents the calculated values of a, c, B, and B for the both phases of BaPtAs, and the calculated values of z Pt and z As for the YPtAs phase of BaPtAs along with experimental results [36] for the values of lattice parameters and inner coordinates. The values of a and c for both phases accord very well with their measured values [36] while the calculated values of z Pt and z As for the YPtAs phase harmonize excellently with their experimental values [36].…”

Section: A Structural and Electronic Propertiesmentioning

confidence: 99%

“…Table I presents the calculated values of a, c, B, and B for the both phases of BaPtAs, and the calculated values of z Pt and z As for the YPtAs phase of BaPtAs along with experimental results [36] for the values of lattice parameters and inner coordinates. The values of a and c for both phases accord very well with their measured values [36] while the calculated values of z Pt and z As for the YPtAs phase harmonize excellently with their experimental values [36]. In particular, the maximum deviation is observed for the c lattice constant value of YPtAs phase within around 2%.…”

Section: A Structural and Electronic Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…Very recently, the intermetallic compound BaPtAs has been reported to depict polymorhism [36]. Although formerly this compound was reported to adopt the cubic LaIrSi-type crystal structure, recent single-crystal x-ray diffraction measurements [36] reveal that it also exists in the hexagonal SrPtSb-type crystal structure as well as in the hexagonal YPtAs-type crystal structure. Furthermore, magnetization, electrical resistivity, and specific heat measurements [36] conclude that the SrPtSb-and YPtAs-type BaPtAs exhibit superconductivity at 2.8 and 2.1-3.0 K, respectively, while its cubic LaIrSi-type structure becomes superconductor only below 0.1 K. The hexagonal SrPtSb-and YPtAs-type crystal structures of BaPtAs are illustrated in Fig.…”

Section: Introductionmentioning

confidence: 99%

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Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of spin-orbit coupling

et al. 2019

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Recently, superconductivity in BaPtAs with the noncentrosymmetric SrPtSb and the centrosymmetric YPtAsstructure has been discovered. Its noncentrosymmetric and centrosymmetric structures make BaPtAs a charming compound for searching the effect of spin-orbit coupling (SOC) onto superconductors with broken and preserved spatial inversion symmetry. We have investigated the effect of SOC on the physical and electron-phonon interaction properties of these phases of BaPtAs by using the generalized gradient approximation of the density functional theory and the plane-wave pseudopotential method. The inclusion of SOC has moderate effect on the elastic and electronic properties, and on phonon frequencies for both phases of BaPtAs. However, SOC makes an opposite impact on their Eliashberg spectral function. For the noncentrosymmetric phase, this coupling decreases the strength of dominant peaks of Eliashberg spectral function, reducing the values of average electron-phonon coupling and superconducting transition temperature. The scenario is exactly opposite for the centrosymmetric phase. For both phases, the hybridized Pt-As vibrations play a strongly significant role in determining their electron-phonon interaction properties since their electronic states have the dominant contribution near the Fermi level. The superconducting temperature is estimated to be 2.87 K for the SrPtSb phase and 2.38 K for the YPtAs phase. These values compare well with the reported measured values of 2.8 K and 2.1-3.0 K, respectively.

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Be–Be π‐Bonding and Predicted Superconductivity in MBe₂ (M=Zr, Hf)

Goesten

2021

Angewandte Chemie

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Beryllium, an s‐block element, forms an aromatic network of delocalized Be–Be π bonds in alloys ZrBe2 and HfBe2. This gives rise to stacked [Be2]4− layers with tetravalent cations in between. The [Be2]4− sublattice is isoelectronic and isostructural to graphite, as well as the [B]−2 sublattice in MgB2, and it bears identical manifestations of π bonding in its electronic band structure. These come in the form of degeneracies at K and H in the Brillouin zone, separated in energy as the result of interlayer orbital interactions. Zr and Hf use their valence d orbitals to form bonds with the layers, leading to nearly identical band structures. Like MgB2, ZrBe2 and HfBe2 are computed to be phonon‐mediated superconductors at ambient pressures, with respective critical temperatures of 11.4 K and 8.8 K. The coupling strength between phonons and free electrons is very similar, so that the difference in critical temperatures is controlled by the mass of constituent interlayer ions.

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Superconductivity in Hexagonal BaPtAs: SrPtSb- and YPtAs-type Structures with Ordered Honeycomb Network

Cited by 19 publications

References 21 publications

CaPtAs: A new noncentrosymmetric superconductor

CaPtAs: A new noncentrosymmetric superconductor

Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of spin-orbit coupling

Be–Be π‐Bonding and Predicted Superconductivity in MBe₂ (M=Zr, Hf)

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Superconductivity in Hexagonal BaPtAs: SrPtSb- and YPtAs-type Structures with Ordered Honeycomb Network

Cited by 19 publications

References 21 publications

CaPtAs: A new noncentrosymmetric superconductor

CaPtAs: A new noncentrosymmetric superconductor

Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of spin-orbit coupling

Be–Be π‐Bonding and Predicted Superconductivity in MBe2 (M=Zr, Hf)

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Be–Be π‐Bonding and Predicted Superconductivity in MBe₂ (M=Zr, Hf)