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EuInP, an A-type antiferromagnet, presents a compelling platform for exploring half-metallicity due to its layered structure and contrasting intra/interlayer magnetic ordering. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we investigate the electronic structure evolution across its magnetic transition. Below , ARPES reveals a Fermi level band splitting, indicative of a surface ferromagnetic exchange interaction. Notably, only one of the split bands crosses the Fermi level, suggesting potential surface half-metallicity. DFT calculations confirm this, showing no splitting in the bulk antiferromagnetic phase but reproducing the splitting in a ferromagnetic configuration. Above , the band splitting collapses, accompanied by a Fermi surface volume change, reflecting the restoration of spin degeneracy. Surface potassium doping studies demonstrate tunable band dispersions and effective masses, highlighting the interplay between electron correlation and carrier concentration. Our results reveal surface ferromagnetism in EuInP and highlight its promise for spintronic applications.
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http://dx.doi.org/10.1021/acs.nanolett.5c01822 | DOI Listing |
J Phys Condens Matter
August 2025
Material Science Group, Indira Gandhi Centre for Atomic Research, a CI of Homi Bhabha National Institute, Kalpakkam, Tamil Nadu 603102, India.
Using the plane-wave pseudopotential method within the framework of density functional theory, CoMnAl (100), (110), and (111) surfaces with different atomic terminations have been studied in the context of some key spintronics properties,, surface energy, half-metallicity, magnetization, and magnetic anisotropy. The present study reveals that the MnAl-(100), Co-Al-(111), and Al-(111) surfaces exhibit negative surface energies over a wide range of chemical potentials, indicating their strong structural stability. The MnAl-(100), CoCoMnAl-(110), and Co-Mn-(111) surfaces maintain the nearly half-metallic nature like the bulk-CoMnAl, while this nearly half-metallic nature is even improved for the Al-(111) surface.
View Article and Find Full Text PDFNano Lett
July 2025
National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China.
EuInP, an A-type antiferromagnet, presents a compelling platform for exploring half-metallicity due to its layered structure and contrasting intra/interlayer magnetic ordering. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we investigate the electronic structure evolution across its magnetic transition. Below , ARPES reveals a Fermi level band splitting, indicative of a surface ferromagnetic exchange interaction.
View Article and Find Full Text PDFRSC Adv
May 2025
Research Unit on Emerging Materials (RUEM), University Ferhat Abbas of Setif 1 Setif 19000 Algeria.
This work reports the determination of structural, electronic, half-metallic and magnetic properties of new double perovskites KCuVCl and RbCuVCl using the full-potential linearized augmented plane wave plus local orbitals method incorporated in the WIEN2k code. The calculations performed for this prediction were framed using the density functional theory, and the exchange and correlation potential were described using the generalized gradient approximation of TB-mBJ (Tran-Blaha modified Becke-Johnson). The structural properties confirmed the stable ferromagnetic ground state of the two studied compounds.
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May 2025
Institute of Theoretical and Applied Research, Duy Tan University Ha Noi 100000 Vietnam
The search for new materials for practical implementation in spintronic devices has attracted enormous attention. In this work, the electronic and magnetic properties of half-Heusler NaMnAs alloy in its bulk conformation and as (001) surfaces are investigated using the full-potential linearized augmented plane wave (FP-LAPW) method. The bulk NaMnAs compound is a ferromagnetic spin-gapless semiconductor (SGS) material, whose total magnetic moment of 5.
View Article and Find Full Text PDFAdv Sci (Weinh)
June 2025
Department of Physics and Department of Energy Systems Research, Ajou University, Suwon, 16499, Republic of Korea.
Ferromagnetic perovskite oxides, particularly LaSrMnO (LSMO), show significant promise for spintronics and electromagnetic applications due to their unique half-metallicity and colossal magnetoresistance properties. These properties are known to arise from Mn-O-Mn double-exchange interactions, which are directly related to microscopic lattice structures. However, since the microscopic structure in LSMO is highly sensitive to various material parameters, such as thickness, lattice strain, oxygen deficiency, and cation stoichiometry, understanding the intricate relationship between the microscopic structures and the resulting physical properties of LSMO remains challenging.
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