arXiv subjects

Xingbin Zhao

Publications and source records attributed to Xingbin Zhao.

2 recordsLinked to original sources

arXiv2026

Self-induced crystalline fluctuation spin-glass state in Mn7C3 binary compounds

Crystalline spin glasses are attractive compounds owing to their unique nature and applications. Here, we synthesised a bulk Pnma-type Mn7C3 spin glass by a high-temperature, high-pressure method. Experimental characterisation including X-ray diffraction and magnetic susceptibility measurements demonstrated that the compound has a triangular Ising-model-based structure, high freezing temperature of 37.4 K, and novel competition mechanism. Theoretical calculations and simulations revealed that the triangular Mn units are spontaneously frustrated and bridge neighbouring Mn units via polarised C atoms and messenger Mn atoms. Triangular C units each share one electron within a three-pronged electron cloud. This electron is the direct cause of frustration and competition in Mn7C3. The competition within the triangular Mn units suggests that the possible magnetic configurations are highly degenerate and that the Mn7C3 spin glass has high robustness. This work introduces a new family of spin glasses with ordered microgeometries that drive electronic structure disorder, and an application-friendly spin-glass material for use in fields like high-efficiency hardware and algorithm design in artificial intelligence.

cond-mat.mtrl-sci↗

arXiv2021

Pressure-stabilized Planar N4-ring and Bonding Properties in Manganese Nitrides

Manganese nitrides should be with amazing properties and promised application, because manganese atom is particular for its magnetism, valence states, high electron density, etc., and N atoms in compounds form different substructures. It is hard to good synthesize manganese nitride crystals with all established means, therefore, theoretical studies are highly welcome. In this study, we systematically examined the stoichiometric phases spaces of Mn-N compounds from 0 to 100 GPa based on ab initio calculations, and constructed the high pressure magnetic phase diagram. Remarkably, N-rich MnN4 with a planar N4 ring was discovered for the first time in the pressure range from 40 to 100 GPa. The electronic structures reveal that the N4 ring is driven by the sp2 hybridization of nitrogen atoms. This phase with Tc=1.6 K and high bulk modulus B =381 GPa, which make it potentially interesting as a hard superconductive material. Moreover, the phase transition sequence for the MnN compound is summarized renewedly, the semi-conducting NM-zb phase (5 GPa) first transforms to metallic AFM-NiAs (40 GPa), which further transforms to the more stable metallic FM-rs phase. The mechanical properties show that covalent interaction has a great effect on N-rich structures' hardness and hardly effect on Mn-rich structures in Mn-N compounds.

cond-mat.mtrl-sci↗