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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrNCl by Materials Project

ZrNCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 7-coordinate geometry to four equivalent N3- and three equivalent Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.19 Å) Zr–N bond lengths. All Zr–Cl bond lengths are 2.78 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNCl by Materials Project

ZrNCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 7-coordinate geometry to four equivalent N3- and three equivalent Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.19 Å) Zr–N bond lengths. All Zr–Cl bond lengths are 2.78 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNCl by Materials Project

ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.09 Å. All Zr–Cl bond lengths are 2.74 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNCl by Materials Project

ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.10 Å. All Zr–Cl bond lengths are 2.78 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin-triplet superconductivity from excitonic effect in doped insulators

Despite being of fundamental importance and potential interest for topological quantum computing, spin-triplet superconductors remain rare in solid state materials after decades of research. In this work, we present a three-particle mechanism for spin-triplet superconductivity in multiband systems, where an effective attraction between doped electrons is produced from the Coulomb repulsion via a virtual interband transition involving a third electron [V. Crépel, L. Fu, Sci. Adv. 7, eabh2233 (2021)]. Our theory is analytically controlled by an interband hybridization parameter and explicitly demonstrated in doped band insulators with the example of an extended Hubbard model. Our theory of exciton-mediated pairing reveals how, as a matter of principle, a two-particle bound state can arise from the strong electron repulsion upon doping, opening a viable path to Bose–Einstein condensate (BEC)–Bardeen–Cooper–Schrieffer (BCS) physics in solid state systems. In light of this theory, we propose that recently discovered dilute superconductors such as ZrNCl, WTe 2 , and moiré materials can be spin-triplet and compare the expected consequences of our theory with experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗