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Ferromagnetic redshift of the optical gap in GdN

机译：GdN中光学间隙的铁磁红移

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摘要

We report measurements of the optical gap in a GdN film at temperatures from 300 to 6 K, covering both the paramagnetic and ferromagnetic phases. The gap is 1.31 eV in the paramagnetic phase and redshifts to 0.9 eV in the spin-split bands below the Curie temperature. The paramagnetic gap is larger than was suggested by very early experiments, and has permitted us to refine a (LSDA +U)-computed band structure. The band structure was computed in the full translation symmetry of the ferromagnetic ground state, assigning the paramagnetic-state gap as the average of the majority- and minority-spin gaps in the ferromagnetic state. That procedure has been further tested by a band structure in a 32-atom supercell with randomly oriented spins. After fitting only the paramagnetic gap the refined band structure then reproduces our measured gaps in both phases by direct transitions at the X point.
机译：我们报道了在300至6 K的温度下GdN膜中光学间隙的测量结果，涵盖顺磁性和铁磁性相。间隙在顺磁性阶段为1.31 eV，在居里温度以下的自旋分裂带中红移至0.9 eV。顺磁间隙比非常早期的实验所建议的大，并且允许我们改进（LSDA + U）计算的能带结构。以铁磁基态的完全平移对称性计算能带结构，将顺磁态间隙指定为铁磁态中多数自旋间隙和少数自旋间隙的平均值。该过程已通过具有随机取向的自旋的32原子超级电池中的能带结构进行了进一步测试。在仅拟合顺磁间隙之后，经过精炼的能带结构然后通过在X点的直接跃迁来复制我们在两个相中测得的间隙。

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