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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Frustrated Ising charge correlations in the kagome metal ScV 6 Sn 6

Here we resolve the real-space nature of the high-temperature, short-range charge correlations in the kagome metal ScV 6 Sn 6 . Diffuse scattering appears along a frustrated wave vector q H = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{2}$) at temperatures far exceeding the charge order T CO = 92 K, preempting long-range charge order with wave vectors along q$_{\bar{K}}$ = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{3}$). Using a combination of real space and reciprocal space analysis, we resolve the nature of the interactions between the primary out-of-plane Sc-Sn chain instability and the secondary strain-mediated distortion of the in-plane V kagome network. Finally, a minimal model of the diffuse scattering data reveals a high-temperature, short-ranged "zig-zag" phase of in-plane correlations that maps to a frustrated triangular lattice Ising model with antiferromagnetic interactions and provides a real-space understanding of the origin frustrated charge order in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Materials Data on Sc5Sn3 by Materials Project

Sc5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Sc–Sn bond lengths are 3.01 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Sc–Sn bond distances ranging from 2.91–3.33 Å. Sn is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSn2 by Materials Project

ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sc–Sn bond distances ranging from 3.06–3.34 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.03 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSn3 by Materials Project

ScSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing ScSn12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.40 Å) Sc–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.15–3.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSn3 by Materials Project

ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Sn atoms to form ScSn12 cuboctahedra that share corners with four equivalent ScSn12 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with sixteen equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with eight equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.36 Å) Sc–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sc and eight Sn atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent SnSc4Sn8 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with eight equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with ten equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.36 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a square co-planar geometry to four equivalent Sc and eight equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSn by Materials Project

ScSn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded to four equivalent Sn atoms to form corner-sharing ScSn4 tetrahedra. All Sc–Sn bond lengths are 2.90 Å. Sn is bonded to four equivalent Sc atoms to form corner-sharing SnSc4 tetrahedra.

36 MATERIALS SCIENCE↗