Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cr-Si”

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.

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

Tuning the structural and antiferromagnetic phase transitions in UCr 2 Si 2 : Hydrostatic pressure and chemical substitution

Structural phase transitions in $\textit{f}$-electron materials have attracted sustained attention both for practical and basic science reasons, including the fact that they offer an environment to directly investigate relationships between structure and the $\textit{f}$-state. Here we present results for UCr 2 Si 2 , where structural (tetragonal → monoclinic) and antiferromagnetic phase transitions are seen at $T_S$ = 205 K and $T_N$ = 25 K, respectively. We also provide evidence for an additional second-order phase transition at $T_X$ = 280 K. We show that $T_X$, $T_S$, and $T_N$ respond in distinct ways to the application of hydrostatic pressure and Cr → Ru chemical substitution. In particular, hydrostatic compression increases the structural ordering temperature, eventually causes it to merge with $T_X$, and destroys the antiferromagnetism. In contrast, chemical substitution in the series UCr 2– x Ru x Si 2 suppresses both $T_S$ and $T_N$, causing them to approach zero temperature near $\textit{x}$ ≈ 0.16 and 0.08, respectively. The distinct $\textit{T–P}$ and ${T–x}$ phase diagrams are related to the evolution of the rigid Cr-Si and Si-Si substructures, where applied pressure semiuniformly compresses the unit cell, and Cr → Ru substitution results in uniaxial lattice compression along the tetragonal $\textit{c}$-axis and an expansion in the $\textit{ab}$-plane. These results in this work provide insights into an interesting class of strongly correlated quantum materials in which degrees of freedom associated with $\textit{f}$-electron magnetism, strong electronic correlations, and structural instabilities are readily controlled.

36 MATERIALS SCIENCE↗

Materials Data on CrSi2 by Materials Project

CrSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Cr is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of Cr–Si bond distances ranging from 2.48–2.55 Å. Si is bonded in a 10-coordinate geometry to five equivalent Cr and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.55 Å.

36 MATERIALS SCIENCE↗

Materials Data on CrSi2 by Materials Project

CrSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Cr is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are a spread of Cr–Si bond distances ranging from 2.48–2.55 Å. Si is bonded in a 10-coordinate geometry to five equivalent Cr and five equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.55 Å.

36 MATERIALS SCIENCE↗

Materials Data on Cr3Si by Materials Project

Cr3Si crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to two equivalent Cr and four equivalent Si atoms. Both Cr–Cr bond lengths are 2.26 Å. All Cr–Si bond lengths are 2.52 Å. Si is bonded to twelve equivalent Cr atoms to form a mixture of edge and face-sharing SiCr12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Cr5Si3 by Materials Project

Cr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.40+ sites. In the first Cr+2.40+ site, Cr+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.40+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.29 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr+2.40+ site, Cr+2.40+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.39–2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent Cr+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Cr+2.40+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CrSi by Materials Project

CrSi is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Cr4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.32–2.56 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Cr4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CrSi2 by Materials Project

CrSi2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cr is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are eight shorter (2.50 Å) and two longer (2.54 Å) Cr–Si bond lengths. Si is bonded in a 10-coordinate geometry to five equivalent Cr and five equivalent Si atoms. There are one shorter (2.46 Å) and four longer (2.54 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗