The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. Unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions of the strongly correlated materials CeRh1-xIrxIn5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states.
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http://dx.doi.org/10.1073/pnas.1415657112 | DOI Listing |
Nat Commun
January 2025
Institute of Physics, Johannes Gutenberg University Mainz, 55099, Mainz, Germany.
Spin-Orbit Torque (SOT) Magnetic Random-Access Memory (MRAM) devices offer improved power efficiency, nonvolatility, and performance compared to static RAM, making them ideal, for instance, for cache memory applications. Efficient magnetization switching, long data retention, and high-density integration in SOT MRAM require ferromagnets (FM) with perpendicular magnetic anisotropy (PMA) combined with large torques enhanced by Orbital Hall Effect (OHE). We have engineered a PMA [Co/Ni] FM on selected OHE layers (Ru, Nb, Cr) and investigated the potential of theoretically predicted larger orbital Hall conductivity (OHC) to quantify the torque and switching current in OHE/[Co/Ni] stacks.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Minjiang Collaborative Center for Theoretical Physics, College of Physics and Electronic Information Engineering, Minjiang University, Fuzhou 350108, China.
Complex functional materials are characterized by intricate and competing bond orders, making them an excellent platform for evaluating the newly developed strongly constrained and appropriately normed (SCAN) density functional. In this study, we explore the effectiveness of SCAN in simulating the electronic properties of displacive ferroelectrics (BaTiO3 and PbTiO3) and magnetoelectric multiferroics (BiFeO3 and YMnO3), which encompass a broad spectrum of bonding characteristics. Due to a significant reduction in self-interaction error, SCAN manifests its improvements over the Perdew-Burke-Ernzerhof (PBE) method in three aspects: SCAN predicts more accurate ionicity, produces more compact orbitals, and better captures d-orbital anisotropy.
View Article and Find Full Text PDFAdv Mater
January 2025
Department of Materials Science and Engineering, Yonsei University, Seoul, 03722, Republic of Korea.
Interstitial quasi-atomic electrons (IQEs) in the quantized energy levels of positively charged cavities possess a substantial own magnetic moment and control the magnetism of crystalline electrides depending on the interaction with surrounding cations. However, weak spin-orbit coupling and gentle exchange interaction restricted by the IQEs preclude a large magnetic anisotropic, remaining a challenge for a hard magnetism. It is reported that 2D [ReC]·2e electrides (Re = Er, Ho, Dy, and Tb) show the permanent magnetism in a ferrimagnetic ground state, mimicking the ferrites composed of magnetic sublattices with different spin polarizations.
View Article and Find Full Text PDFSci Rep
December 2024
School of Materials Science and Engineering, Liaocheng University, Liaocheng, 252059, Shandong, China.
The welding of titanium alloys is an important topic in today's industrial field, and the interaction between the solder and the base material is crucial for the quality of the welded parts. The structural, elastic, electronic, and thermal properties of Ti-Al-Me (Me = Cu, Fe and Ni) alloys (TAMs) with the face-centered cubic structures were investigated using plane-wave pseudo potential method in the framework of density functional theory. Based on the calculated elastic constants combined with empirical and semi-empirical formulas, physical properties including ductility/brittleness, hardness and anisotropy were calculated.
View Article and Find Full Text PDFInorg Chem
December 2024
School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
The interplay between quantum effects from magnetic frustration, low-dimensionality, spin-orbit coupling, and crystal electric field in rare-earth materials leads to nontrivial ground states with unusual magnetic excitations. Here, we investigate YbTaO, which hosts a buckled square net of Yb ions with = 1/2 moments. The observed Curie-Weiss temperature is about -1 K, implying an antiferromagnetic coupling between the Yb moments.
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