SEARCH · Search NASA
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.
CrSe is Vulcanite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CrSe sheet oriented in the (0, 0, 1) direction. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Cr–Se bond lengths are 2.44 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cr2+ atoms.
In the framework of density functional theory (DFT), we investigate the structural deformation, and mechanical behavior of the Janus CrSSe, which has out-of-plane structural asymmetry, with conventional transition metal dichalcogenides (TMDs) CrS 2 and CrSe 2 . The Janus CrSSe could be a potential candidate for machinable optoelectronic and piezoelectric applications. Here, we predict that these compounds are chemically, mechanically, and dynamically stable with the covalent bond between the TM(Cr) and chalcogen(X=S, Se) atoms. Due to the influence of tensile strain, the Cr–X bond length of each monolayers increases and the thickness decreases. Interestingly, the in-plane stiffness, shear and layer moduli, Poisson’s ratio, ultimate bi/uni-axial stress of Janus CrSSe are in between the values of CrS 2 and CrSe 2 monolayers. Similar to TMDs, the orientation-dependent in-plane stiffness and Poisson’s ratio demonstrates the isotropic behavior in Janus CrSSe. Furthermore, it can sustain a larger value of uni/bi-axial tensile strain with the critical strain equivalent to CrX 2 monolayers. By applying higher-order strain, we have also found average elastic–plastic behavior as expected. These findings demonstrate that the Janus CrSSe monolayer is a mechanically stable and ductile compound that maintains the hybrid behavior.
CrSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Se2- atoms to form a mixture of edge, corner, and face-sharing CrSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr–Se bond lengths are 2.67 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Cr2+ atoms.
This work reports the ferromagnetism of topological insulator, (Bi,Sb) 2 Te 3 (BST), with a Curie temperature of approximately 120 K induced by magnetic proximity effect (MPE) of an antiferromagnetic CrSe. The MPE was shown to be highly dependent on the stacking order of the heterostructure, as well as the interface symmetry: Growing CrSe on top of BST results in induced ferromagnetism, while growing BST on CrSe yielded no evidence of an MPE. Cr-termination in the former case leads to double-exchange interactions between Cr 3+ surface states and Cr 2+ bulk states. This Cr 3+ -Cr 2+ exchange stabilizes the ferromagnetic order localized at the interface and magnetically polarizes the BST Sb band. In contrast, Se-termination at the CrSe/BST interface yields no detectable MPE. These results directly confirm the MPE in BST films and provide critical insights into the sensitivity of the surface state.
Here, we present a comprehensive study on the magnetic evolution processes in AgCrSe 2 using both neutron scattering and theoretical calculations. Additionally, the development of magnetic short-range correlation with decoupled interlayer interactions is confirmed between 55 and 200 K. Significant magneto-crystalline anisotropy energy around 0.1 meV of Cr 3+ is identified that mainly contributes to the robust existence of the in-plane magnetic correlations in the magnetic short-order regime. Furthermore, the indirect superexchange interactions through Cr-Se-Ag-Se-Cr path between the adjacent CrSe 6 octahedral layers is also demonstrated. In combination with the mutual coupling among multiple degrees of freedom (spin, phonon, lattice, and dipole), we reveal the key role of the freezing of Ag + fluctuations in preventing interlayer exchange interactions from decoupling.
Cr-doped ZnSe single crystals were grown by self-seeded physical vapor transport technique under both vertical (stabilized) and horizontal configurations. The source materials were mixtures of ZnSe and CrSe. The growth temperatures were in the range of 1140 to 1150C and the furnace translation rates were 1.9 to 2.2 mm/day. The surface morphology of the as-grown crystals was examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The different features on the as-grown surface of the vertically and horizontally grown crystals suggests that different growth mechanisms were involved for the two growth configurations. The [Cr] doping levels were determined to be in the range of 1.8 to 8.3 x 10(exp 19)/cubic centimeter from optical absorption measurements. The crystalline quality of the grown crystals were examined by high resolution triple crystal X-ray diffraction (HRTXD) analysis.
Cr-doped ZnSe single crystals were grown by a self-seeded physical vapor transport technique in both vertical (stabilized) and horizontal configurations. The source materials were mixtures of ZnSe and CrSe. Growth temperatures were in the range of 1140-1150 C and the furnace translation rates were 1.9-2.2 mm/day. The surface morphology of the as-grown crystals was examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). Different features of the as-grown surface of the vertically and horizontally grown crystals suggest that different growth mechanisms were involved in the two growth configurations. The [Cr] doping levels were determined to be in the range of 1.8-8.3 x 10 (exp 19) cm (exp -3) from optical absorption measurements. The crystalline quality of the grown crystals were examined by high-resolution triple-crystal X-ray diffraction (HRTXD) analysis.