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arXiv 2106.09073cond-mat.mtrl-sci
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离散量子几何与内禀自旋霍尔效应

Discrete Quantum Geometry and Intrinsic Spin Hall Effect

Jie-Xiang Yu, Jiadong Zang, Roger K. Lake, Yi Zhang, Gen Yin

摘要:

我们证明了费米面的量子几何可以用一个三维离散量子流形来描述。这种方法不仅避免了费米海中的奇点,而且还可以精确计算自旋中的固有霍尔电导率,以及费米表面的任何其他局部性质。当费米能级任意接近奇点时,该方法保证了数值精度,并且当Kramers简并受到对称性保护时,该方法仍然具有鲁棒性。通过计算Weyl半金属的2带晶格模型和锌基GaAs的全带从头算模型的反常霍尔和自旋霍尔电导率,证明了这种方法。

英文摘要:

We show that the quantum geometry of the Fermi surface can be numerically described by a 3-dimensional discrete quantum manifold. This approach not only avoids singularities in the Fermi sea, but it also enables the precise computation of the intrinsic Hall conductivity resolved in spin, as well as any other local properties of the Fermi surface. The method assures numerical accuracy when the Fermi level is arbitrarily close to singularities, and it remains robust when Kramers degeneracy is protected by symmetry. The approach is demonstrated by calculating the anomalous Hall and spin Hall conductivities of a 2-band lattice model of a Weyl semimetal and a full-band ab-initio model of zincblende GaAs.

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