Gang Bahadur Acharya, Bishnu Karki, Madhav Prasad Ghimire and Bhuvanesh Srinivasan*,
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引用次数: 0
Abstract
Magnetic Weyl semimetals can exhibit a significant electronic transport behavior known as the anomalous Hall effect caused by the inherent Berry curvature generated by Weyl fermions. This study presents the result of density-functional theory analysis focusing on the magnetic ground state, electronic properties, topological Weyl properties, nontrivial surface state, and anomalous Hall effect of the double half-Heusler compound Cr2FeCoAs2. We determined that Cr2FeCoAs2 acts as a ferrimagnetic half-metal with a total spin magnetic moment of 6 μB per unit cell. This system is particularly interesting as it features one insulating and one metallic topological channel. The minority-spin insulating channel shows an energy band gap of 1.26 eV. The majority spin channel consists of several sets of low-energy Weyl points. Among them, four exactly lie at the Fermi level. The chiral Weyl nodes, breaking time-reversal symmetry and protected by mirror symmetry, act as the monopole source and sink of the Berry curvature and provide a large intrinsic anomalous Hall conductivity approaching −190 Ω–1 cm–1 at the Fermi level and −370 Ω–1 cm–1 at 170 meV, which is comparable to those of topological magnetic materials. Additionally, nontrivial surface states are clearly present in Cr2FeCoAs2. Our work will support future experimental investigations into the previously unexplored topological phenomena of Cr2FeCoAs2.
期刊介绍:
ACS Applied Electronic Materials is an interdisciplinary journal publishing original research covering all aspects of electronic materials. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials science, engineering, optics, physics, and chemistry into important applications of electronic materials. Sample research topics that span the journal's scope are inorganic, organic, ionic and polymeric materials with properties that include conducting, semiconducting, superconducting, insulating, dielectric, magnetic, optoelectronic, piezoelectric, ferroelectric and thermoelectric.
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