An elegant approach for the synthesis of graphene on the strong ferromagnetic (FM) material MnGe is proposed via intercalation of Mn in the graphene-Ge(111) interface. According to the density functional theory calculations, graphene in this strongly interacting system demonstrates the large exchange splitting of the graphene-derived π band. In this case, only spin-up electrons in graphene preserve the Dirac-electron-like character in the vicinity of the Fermi level and the K point, whereas such behavior is not detected for the spin-down electrons. This unique feature of the studied gr-FM-MnGe interface that can be prepared on the semiconducting Ge can lead to its application in spintronics.
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http://dx.doi.org/10.1021/acs.jpclett.9b00893 | DOI Listing |
Sci Rep
December 2024
Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, 474 011, India.
This study presents a comprehensive investigation into the intrinsic properties of RNiP (where R = Sm, Eu) filled skutterudite, employing the full-potential linearized augmented plane wave method within density functional theory (DFT) simulations using the WIEN2k framework. Structural, phonon stability, mechanical, electronic, magnetic, transport, thermal, and optical properties are thoroughly explored to provide a holistic understanding of these materials. Initially, the structural stability of SmNiP and EuNiP is rigorously evaluated through ground-state energy calculations obtained from structural optimizations, revealing a preference for a stable ferromagnetic phase over competing antiferromagnetic and non-magnetic phases.
View Article and Find Full Text PDFNanoscale
January 2025
Department of Physics, OSED, Key Laboratory of Low Dimensional Condensed Matter Physics (Department of Education of Fujian Province), Xiamen University, Xiamen 361005, China.
Molecules
November 2024
School of Physics and Electric Engineering, Anyang Normal University, Anyang 455000, China.
For metal-free low-dimensional ferromagnetic materials, a hopeful candidate for next-generation spintronic devices, investigating their magnetic mechanisms and exploring effective ways to regulate their magnetic properties are crucial for advancing their applications. Our work systematically investigated the origin of magnetism of a graphitic carbon nitride (Pca21 CN) monolayer based on the analysis on the partial electronic density of states. The magnetic moment of the Pca21 CN originates from the spin-split of the 2 orbit from special carbon (C) atoms and 2 orbit from N atoms around the Fermi energy, which was caused by the lone pair electrons in nitrogen (N) atoms.
View Article and Find Full Text PDFNanoscale Adv
October 2024
Department of Physics and Astronomy, Uppsala University Sweden
Utilizing simulations, we study the spin-dependent electronic transport characteristics within FeGeTe-based van der Waals heterostructures. The electronic density of states for both free-standing and device-configured FeGeTe (F4GT) confirms its ferromagnetic metallic nature and reveals a weak interface interaction between F4GT and PtTe electrodes, enabling efficient spin filtering. The ballistic transport through a double-layer F4GT with a ferromagnetic configuration sandwiched between two PtTe electrodes is predicted to exhibit an impressive spin polarization of 97% with spin-up electrons exhibiting higher transmission probability than spin-down electrons.
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