The CuOCl compound has been shown to be a high-temperature spin-driven multiferroic system, with a linear magneto-electric coupling. In this paper we propose a complete study of its magnetic structure. We derive the low energy magnetic Hamiltonian using multi-reference configuration interaction and the spin structure using Monte-Carlo simulations.
View Article and Find Full Text PDFBiomaterials such as spider silk and mussel byssi are fabricated by the dynamic manipulation of intra- and intermolecular biopolymer interactions. Organisms modulate solution parameters, such as pH and ion co-solute concentration, to effect these processes. These biofabrication schemes provide a conceptual framework to develop new dynamic and responsive abiotic soft material systems.
View Article and Find Full Text PDFJ Phys Condens Matter
July 2024
We present a theoretical study of the magnetic properties for the pyrochlore-like NaCuFcompound, which surprisingly experience little or no frustration. The magnetic effective exchange interactions were calculated usingmethods explicitly treating the electronic correlation. A model Hamiltonian (quantum Heisenberg Hamiltonian, and for comparison a spin 1/2 Ising Hamiltonian) was built from these interactions and used to determine the zero temperature magnetic order versus magnetic field.
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