We report on first-principles calculations of spin-dependent properties in graphene induced by its interaction with a nearby magnetic insulator (europium oxide, EuO). The magnetic proximity effect results in spin polarization of graphene π orbitals by up to 24%, together with a large exchange-splitting band gap of about 36 meV. The position of the Dirac cone is further shown to depend strongly on the graphene-EuO interlayer. These findings point toward the possible engineering of spin gating by the proximity effect at a relatively high temperature, which stands as a hallmark for future all-spin information processing technologies.
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http://dx.doi.org/10.1103/PhysRevLett.110.046603 | DOI Listing |
Phys Chem Chem Phys
January 2025
Jiangxi Provincial Key Laboratory of Advanced Electronic Materials and Devices, Jiangxi Science & Technology Normal University, Nanchang 330018, China.
Owing to their high light absorption coefficient, excellent electronic mobility, and enhanced excitonic effect, two-dimensional (2D) GaN materials hold great potential for applications in optoelectronic and electronic devices. As the metal-semiconductor junction (MSJ) is a fundamental component of semiconductor-based devices, identifying a suitable metal for contacting semiconductors is essential. In this work, detailed first-principles calculations were performed to investigate the contact behavior between the GaN monolayer (ML) and a series of 2D metals MX (M = Nb, Ta, V, Mo, or W; X = S or Se).
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Materials Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, China.
Single-atom catalysts have attracted a significant amount of attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems often face thermodynamic instability, leading to agglomeration under the operational conditions. In this study, we investigate the interactions of 12 types of catalytic atoms (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, Au, and Bi) on three crystalline phases (1T, 1T', and 2H) of six transition metal dichalcogenide layers (MoS, MoSe, MoTe, WS, WSe, and WTe) using first-principles calculations.
View Article and Find Full Text PDFChem Asian J
January 2025
Universite de Rennes 1, Sciences Chimiques de Rennes - UMR 6226, Avenue du General Leclerc, Campus de Beaulieu, 35042, Rennes, FRANCE.
A novel coordination motif comprising [4]helicene fused with pyrazino-phenanthroline (H4PP) has been synthesized and reacted with ReCl(CO)5 to yield its rhenium(I) complex (Re-H4PP). Absorption and emission spectroscopic analysis conducted in dichloromethane and 2-methyltetrahydrofuran reveals that combining pyrazino-phenanthroline with helicene visibly affects the photophysical attributes of both the resulting ligand and its Re(I) complex as compared to their non-helicene analogues, and even more importantly leads to relatively high photoluminescence quantum yield values, especially in the case of H4PP (29%). Chiroptical studies through electronic circular dichroism and circularly polarized luminescence performed on enantiomerically enriched samples of Re-H4PP show the chiral nature of low-energy excited states affording notable glum values that amplify at cryogenic temperatures.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India.
A series of compositions NiInSn ( = 0-1) were synthesized by conventional high-temperature synthesis, and as-synthesized samples were checked by powder X-ray diffraction experiments. NiInSn ( < 0.7) mainly forms the ternary variant of the CoSn-type structure (6/), whereas, = 0.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Ronin Institute, Montclair, New Jersey 07043, USA.
The Rashba effect in a nonmagnetic condensed-matter system is described by the reduction of point-group symmetries. The inversion, two-fold rotation, and reflection symmetries transforming the wavevector to - are identified as the origin of a degenerate state according to the time-reversal symmetry. The lack of these symmetries in a bulk system or the breaking of these in a surface system is then identified as the origin of a nondegenerate state.
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