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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Exploring the Dirac nature of RbBi 2

Characteristics of topological semimetals such as a nonsaturating magnetoresistance (MR), a field-induced metal to semiconducting crossover and a robust resistivity plateau are observed under a magnetic field in type-I RbBi 2 bulk superconductor with $\mathrm{T}$ c = 4.15 K. The MR exhibits a notable 3500% increase at 2 K and 9 T and the resistivity follows a power law temperature dependence, while the MR ∝ $\mathrm{H}$ 1.26 , indicating weak carrier compensation. Further, first principles calculations provided insights into the dynamical stability of the cubic structure at 0 K. Both hole and electron pockets are observed at the Fermi surface. The electron-phonon interaction constant indicates weak coupling strength (<1) that leads to a maximum predicted $\mathrm{T}$ c of 2.852 K. Just below the Fermi level, E F , the electronic band structure consists of linear band crossings at the $\mathrm{X}$ points in the Brillouin zone (BZ) corresponding to massless, symmetry-protected Dirac fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materials Data on RbBi by Materials Project

BiRb is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.76–4.13 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.80–4.29 Å. In the third Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.79–4.35 Å. In the fourth Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.78–4.13 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two equivalent Bi atoms. There are one shorter (3.07 Å) and one longer (3.10 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Rb and two equivalent Bi atoms. In the third Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two equivalent Bi atoms. There are one shorter (3.06 Å) and one longer (3.08 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Rb and two equivalent Bi atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBi(MoO4)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBi by Materials Project

BiRb is Protactinium-derived structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two equivalent Rb and eight equivalent Bi atoms. Both Rb–Rb bond lengths are 3.34 Å. There are a spread of Rb–Bi bond distances ranging from 3.88–3.92 Å. Bi is bonded in a 10-coordinate geometry to eight equivalent Rb and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project

RbBi(AsS2)6(N(CH3)4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six tetramethylammonium molecules and one RbBi(AsS2)6 framework. In the RbBi(AsS2)6 framework, Rb1+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.50 Å. Bi3+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.35 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Bi3+ and one As3- atom.

36 MATERIALS SCIENCE↗