One-dimensional spin chains are important testbeds for the investigation of quantum many-body systems. Here, we introduce a new quasi-one-dimensional chain of spin-1/2 H nuclei in hambergite (BeBO(OH)) crystal. The distinctive feature of hambergite is the zig-zag arrangement of the spins in the chains compared to the systems reported earlier. A single crystal of hambergite was investigated experimentally using H nuclear magnetic resonance at different orientations in the external magnetic field. The experimental spectra were compared with the Van Vleck's second moments calculated from the structural data. For the orientation of the chain along the external magnetic field the resonance resembles that of the linear spin chains and the calculated contributions to the second moment from spins within one chain of hambergite amount to 96%. For other orientations the spectra demonstrate features specific to the zig-zag chain. Our results show that H nuclei in hambergite crystals could serve a good model of a well-isolated zig-zag spin chain.
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http://dx.doi.org/10.1016/j.jmr.2020.106816 | DOI Listing |
Molecules
December 2024
International Research Centre Magtop, Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, PL-02668 Warsaw, Poland.
We present first-principles results on the electronic and magnetic properties of the cubic bulk β-phase of Fe2O3. Given that all Fe-Fe magnetic couplings are expected to be antiferromagnetic within this high-symmetry crystal structure, the system may exhibit some signature of magnetic frustration, making it challenging to identify its magnetic ground state. We have analyzed the possible magnetic phases of the β-phase, among which there are ferrimagnets, altermagnets, and Kramers antiferromagnets.
View Article and Find Full Text PDFPhys Chem Chem Phys
November 2024
School of Electronics and Information, Zhengzhou University of Light Industry, Zhengzhou 450002, China.
Inspired by recent studies on MoS and MoSiN, we propose and investigate Janus MoBXY (X = N, P; Y = S, Se, Te) monolayers, which exhibit robust dynamic and thermal stabilities. Our findings reveal that all these monolayers are semiconductors, with MoBNS and MoBPTe exhibiting direct band gaps at the K/K' points, resulting in degenerate valleys and significant valley spin splitting (VSS) in the valence band. Notably, Berry curvatures at K and K' points, with opposite signs, suggest potential for inducing the valley Hall effect (VHE).
View Article and Find Full Text PDFJ Phys Condens Matter
May 2024
Institute of Physics and International Center of Physics, University of Brasília, 70919-970 Brasília, Distrito Federal, Brazil.
Phosphorene is a recently developed two-dimensional (2D) material that has attracted tremendous attention because of its unique anisotropic optical properties and quasi-one-dimensional (1D) excitons. We use first-principles calculations combined with the maximally localized Wannier function tight binding Hamiltonian and Bethe-Salpeter equation (BSE) formalism to investigate quasiparticle effects of 2D and quasi-1D blue and black phosphorene nanoribbons. Our electronic structure calculations shows that both blue and black monolayered phases are semiconductors.
View Article and Find Full Text PDFNat Commun
October 2023
Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC-Universidad de Zaragoza, Zaragoza, E-50009, Spain.
Low dimensional carbon-based materials can show intrinsic magnetism associated to p-electrons in open-shell π-conjugated systems. Chemical design provides atomically precise control of the π-electron cloud, which makes them promising for nanoscale magnetic devices. However, direct verification of their spatially resolved spin-moment remains elusive.
View Article and Find Full Text PDFInorg Chem
August 2023
Centre for Materials Science and Nanotechnology (SMN), Department of Chemistry, University of Oslo, Sem Sælands vei 26, Oslo N-0371, Norway.
The oxychloride SrTeFeOCl is obtained by high-temperature solid-state synthesis under inert conditions in closed reaction vessels. The compound crystallizes in a novel monoclinic crystal structure that is described in the space group 12/1 (No. 14).
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