Superconducting properties of BaBi<sub>3</sub>

Haldolaarachchige, Neel; Kushwaha, Satya; Gibson, Quinn; Cava, R. J.

doi:10.1088/0953-2048/27/10/105001

Cited by 29 publications

(37 citation statements)

References 45 publications

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“…For the present Bi-rich compounds ABi 3 (A = Sr and Ba), the studies on single crystal samples are necessary to prove our estimation. Previously Haldolaarachchige et al 18. prepared the single crystal of BaBi 3 and measured the physical properties.…”

Section: Resultsmentioning

confidence: 99%

“…Few people have realized that SOC should influence the superconductivity of those compounds in the past years. Very recently, ABi 3 (A = Sr and Ba) were reinvestigated1819. Haldolaarachchige et al .…”

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“…Haldolaarachchige et al . prepared the single crystal sample of BaBi 3 and concluded the physical parameters in detail18. Iyo et al .…”

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Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Shao

Luo

et al. 2016

Sci Rep

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Recently, Bi-based compounds have attracted attentions because of the strong spin-orbit coupling (SOC). In this work, we figured out the role of SOC in ABi3 (A = Sr and Ba) by theoretical investigation of the band structures, phonon properties, and electron-phonon coupling. Without SOC, strong Fermi surface nesting leads to phonon instabilities in ABi3. SOC suppresses the nesting and stabilizes the structure. Moreover, without SOC the calculation largely underestimates the superconducting transition temperatures (Tc), while with SOC the calculated Tc are very close to those determined by measurements on single crystal samples. The SOC enhanced superconductivity in ABi3 is due to not only the SOC induced phonon softening, but also the SOC related increase of electron-phonon coupling matrix elements. ABi3 can be potential platforms to construct heterostructure of superconductor/topological insulator to realize topological superconductivity.

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Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Shao

Luo

et al. 2016

Sci Rep

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“…There are several bismuthalkaline and alkaline-earth metal intermetallic superconductors known, including LiBi [6], NaBi [7], KBi 2 [8], RbBi 2 , CsBi 2 [9], Ca 11 Bi 10-x [10], SrBi 3 [11,12], BaBi 3 [13], and Ba 2 Bi 3 [14]. Recently, intermetallic phases in the Ca-Bi chemical system were examined using theoretical calculations, and three potential superconductors were proposed: CaBi 3 , CaBi, and Ca 3 Bi [15].…”

Section: Introductionmentioning

confidence: 99%

Superconductivity in CaBi₂

Winiarski

Wiendlocha

Gołąb

et al. 2016

Phys. Chem. Chem. Phys.

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and 124 Oe. Results of electronic structure calculations are reported and charge densities, electronic bands, densities of states and Fermi surfaces are discussed, focusing on the effects of spin-orbit coupling and electronic property anisotropy. We find a mixed quasi-2D + 3D character in the electronic structure, which reflects the layered crystal structure of the material. Keywords: Type-I superconductivity, 2 I IntroductionMuch effort has recently been devoted to Bi-based candidates for topological insulators [1,2,3]. The presence of the heavy element bismuth provides the strong spin-orbit coupling that is essential for formation of the topologically-nontrivial band structure of these materials. To the best of our knowledge, no report on the physical properties of CaBi 2 has been previously published. CaBi 2 crystallizes in an orthorhombic lattice in non-symmorphic space group Cmcm (no. 63) [19], and is isostructural with ZrSi 2 [21,22]. In order to study the electronic properties of CaBi 2 , we employed a self-flux-based single crystal growth method [32], and the physical properties of the resulting crystals were analyzed. The electronic structure of the system was next calculated, using density functional theory methods. Electronic bands, densities of states, Fermi surfaces and charge densities are described here in addition to the electronic properties of the material; the analysis focuses on spin-orbit coupling effects and the anisotropy of the electronic states. II Materials and MethodsTo grow the CaBi 2 crystals, calcium granules (Alfa Aesar, 99.5%) and bismuth pieces (Alfa Aesar, 99.99%) in a 3:17 molar ratio (15 at% of Ca) were put in a carbon-coated quartz tube inside an Ar-filled glovebox. A plug of quartz wool was then inserted, and the tube was subsequently evacuated and sealed without exposing the Ca metal to air. The ampule was heated to 550ºC, kept at that temperature for 8 hours, and then slowly cooled (3ºC per hour) to 310ºC at which temperature the excess Bi was spun off with the aid of a centrifuge (3000 rpm, Heat capacity and electrical resistivity measurements were performed using a 3 He-refrigerator equipped Quantum Design PPMS system. Electrical contacts were glued to the sample surface using silver paste. A standard relaxation method was used for the heat capacity measurements.Magnetic susceptibility measurements were carried out in a Quantum Design MPMS-XL SQUID magnetometer equipped with an iQuantum 3 He refrigerator.Electronic band structure calculations were performed using the plane-wave pseudopotential III ResultsThe EDS results yielded the Ca:Bi ratio of 1:2, confirming the stoichiometry of the grown crystals. Additionally, some elemental Bi spots on the surface were found. They may originate either from remaining flux material that was not removed during the centrifugation process, or arise from CaBi 2 decomposition in contact with air and moisture. The room temperature PXRD pattern of crushed crystals is presented in Fig. 2 (the increased background in the low 2θ range is due...

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“…26 This ratio is not at the BCS superconductivity weak coupling limit of 1.43 but is in the range observed for many superconductors. 27 The superconductivity property parameters are summarized in Table S3. As an added check, we tested pure Nb 3 Ru 5 B 2 (present at the 18% level in the tested sample) down to 0.4 K and found that it is not superconducting; that compound therefore could not give rise to the observed heat capacity feature.…”

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Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor

et al. 2015

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S Supporting Information B orides are an important class of nonmolecular solids, although they often display substantial molecular character due to the strong tendency of B to self-bond and thus form molecule-like clusters such as B 6 octahedra, B 12 icosahedra (as found in elemental boron), and B 24 cube-truncated octahedra. On decreasing the relative B content in intermetallic borides, the tendency of boron to self-bond remains and leads to boron networks with low dimensionally, such as broken honeycombs, chains, and dimers, before isolated B atoms are encountered. 1,2 Due to the light mass of boron, which yields high vibrational frequencies, borides are expected to display high superconducting transition temperatures; MgB 2 (T c = 39 K), with its honeycomb lattice of boron, and YB 6 (T c = 7 K), with its B 6 clusters, are important examples. 3−10 Superconductivity is generally considered to fall within the realm of materials physics, but new superconducting compounds, often found by materials chemists, can have a significant impact in the direction of the field. When physicists search for new superconductors, their outlook is based on k-space and "Fermiology", which are not intuitive concepts for most chemists. Here we approach the problem of superconductor design differently. Motivated by the fragment formalism widely used when viewing the structures of inorganic and organometallic molecules, we here describe the discovery of a new superconductor made through manipulating the valence electron concentration in boridesnot through substitution of individual dopant atoms to adjust the Fermi level and therefore the Fermi surface, 11 but by doping through the combination of electron-donating and electron-accepting structural fragments, a distinctly chemical concept.Superconductivity is very unpredictable for new materials. This is because it results from electronic instabilities that are delicately balanced with other factors such as electron−lattice coupling. 12 Although no predictive tools have yet been devised to account for all factors, we show here that the fragment formalism is a new way to predict potential new superconductors from a chemical perspective. We use this principle to search for new superconducting compounds. We find that the metal-rich boride, NbRuB, whose existence and structure have also recently been described, 13 is superconducting. We observe BCS-like superconductivity in this compound with a T c = 3.1 K. This structure may be considered as being built up by two types of boron-centered trigonal prisms: an uncapped boron-centered trigonal prism with the formula Ru 3 B whose structure is as found in Re 3 B, a known superconductor with a T c of 4.8 K, and a B−B dimer-containing face-sharing double trigonal prism of formula Nb 3 B 2 . Given these fragments and the electron count of the Re 3 B superconductor, we start with the hypothesis that in NbRuB the structural fragments will be combined to yield (Ru 3 B)(−3e − )Nb 3 B 2 (+3e − ) (i.e., Nb 3 Ru 3 B 3 ) in the optimal case; Ru 3 B has three...

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Superconducting properties of BaBi₃

Cited by 29 publications

References 45 publications

Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Superconductivity in CaBi₂

Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor

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Superconducting properties of BaBi3

Cited by 29 publications

References 45 publications

Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

Superconductivity in CaBi2

Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor

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Superconducting properties of BaBi₃

Superconductivity in CaBi₂