SEARCH · Engineering Papers

Results for “CeMnSi”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on CeMnSi by Materials Project

CeMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Ce–Mn bond lengths are 2.90 Å. There are four shorter (3.02 Å) and one longer (3.33 Å) Ce–Si bond lengths. Mn is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Mn–Si bond lengths are 2.39 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Unconventional pressure-induced magnetic transitions and mechanical properties in non-magnetic LaFeSi

Here, this work demonstrates that two consecutive magnetic transitions occur in non-magnetic LaFeSi compound under negative hydrostatic pressure (small volume expansion). Electronic structure properties of LaFeSi were calculated using density functional theory (DFT) to understand the origin of these magnetic transitions. Mechanical properties of LaFeSi, especially elastic properties (shear and Young’s modulus, and Poisson’s ratio), were determined by DFT distortion calculations to elucidate lattice anisotropy and stability. The antiferromagnetic transition at –7.52 GPa, predicted in our work for LaFeSi, is consistent with the reported experimentally observed antiferromagnetic ground states in CeMnSi and LaMnSi compounds having similar crystal geometry. This finding of unexpected magnetic ordering predicts that layered non-magnetic materials, like LaFeSi, may become magnetically active with lattice expansion.

36 MATERIALS SCIENCE↗