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Nitrogen-induced magnetic transition in small chromium clusters
Using density functional theory with generalized gradient approximation for exchange and correlation, we show that otherwise antiferromagnetically coupled chromium atoms in very small chromium clusters couple ferromagnetically when doped with a nitrogen atom, thus leading to giant magnetic moments. For example, the magnetic moment of Cr2N is found to be 9μBwhile that of Cr2 is 0μB. Strong bonding between Cr and N atoms brings about this magnetic transition. The Cr atoms nearest neighbor to N couple ferromagnetically with each other and antiferromagnetically with nitrogen. The significance of these results in understanding the ferromagnetic order in Cr-doped GaN is discussed
Magnetism and field-induced effect in a spin-orbit entangled Jeff = 1/2 honeycomb lattice
The interplay between spin-orbit coupling, frustration-induced anisotropic
magnetic interaction, and spin correlations can lead to novel states with
exotic excitations in rare-earth-based quantum magnets. Herein, we present the
crystal structure, magnetization, electron spin resonance (ESR), specific heat,
and nuclear magnetic resonance (NMR) experiments on the polycrystalline samples
of Ba9Yb2Si6O24 in which Yb3+ ions form a perfect honeycomb lattice without
detectable anti-site disorder. Magnetization data reveal antiferromagnetically
coupled spin-orbit entangled Jeff = 1/2 degrees of freedom of Yb3+ ions in the
Kramers doublet state where the Curie-Weiss temperature is - 2.97 K, as
obtained from the low-temperature magnetic susceptibility data. The ESR
measurements reveal that the first excited Kramers doublet is 32.3(7) meV above
the ground state. The specific heat results suggest the presence of an
antiferromagnetic phase transition at 2.26 K. The long-range antiferromagnetic
order is completely suppressed upon the application of magnetic field and a
field-induced disordered state is observed in an applied magnetic field of 2.5
T, which is also confirmed by NMR measurements. Furthermore, the NMR
spin-lattice relaxation rate reveals the presence of a field-induced gap that
is attributed to the Zeeman splitting of Kramers doublet state in this quantum
material. Our experiments suggest the presence of a phase transition and
short-range spin correlations appearing well above the antiferromagnetic phase
transition temperature and a field-induced disordered state in this spin-orbit
entangled Jeff =1/2 rare-earth magnet on a honeycomb lattice
Nitrogen-induced magnetic transition in small chromium clusters
Using density functional theory with generalized gradient approximation for exchange and correlation, we show that otherwise antiferromagnetically coupled chromium atoms in very small chromium clusters couple ferromagnetically when doped with a nitrogen atom, thus leading to giant magnetic moments. For example, the magnetic moment of Cr 2 N is found to be 9 B while that of Cr 2 is 0 B . Strong bonding between Cr and N atoms brings about this magnetic transition. The Cr atoms nearest neighbor to N couple ferromagnetically with each other and antiferromagnetically with nitrogen. The significance of these results in understanding the ferromagnetic order in Cr-doped GaN is discussed
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