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arXiv 0707.0126cond-mat.mes-hall
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磁场中的量子线:Hartree-Fock方法和自旋密度泛函方法的比较研究

Quantum wires in magnetic field: A comparative study of the Hartree-Fock and the spin density functional approaches

S. Ihnatsenka, I. V. Zozoulenko

摘要:

本文详细比较了基于Hartree-Fock理论和自旋密度泛函理论的自洽计算方法在IQH体系中对spit-gate量子线的计算结果。我们证明,这两种方法提供定性(在大多数情况下定量)相似的结果,自旋分辨电子密度,自旋极化,空间自旋分离的边缘和有效的$g$因素。这两种方法给出了相同的磁场值对应于连续的子带人口减少和定性相似的演变的磁子带。然而,在量子上,HF和DFT子带是不同的(即使相应的总电子密度实际上是相同的)。与HF方法相比,DFT计算预测在低磁场下(当无自旋电子的可压缩带尚未形成时),线边缘附近的空间自旋分离要大得多。在大磁场的相反极限下,Hatree-Fock和DFT方法给出了非常相似的空间自旋分离值。

英文摘要:

We present a detailed comparison of the self-consistent calculations based on the Hartree-Fock and the spin density functional theory for a spit-gate quantum wire in the IQH regime. We demonstrate that both approaches provide qualitatively (and in most cases quantitatively) similar results for the spin-resolved electron density, spin polarization, spatial spin separation at the edges and the effective $g$ factor. The both approach give the same values of the magnetic fields corresponding to the successive subband depopulation and qualitatively similar evolution of the magnetosubbands. Quantitatively, however, the HF and the DFT subbands are different (even though the corresponding total electron densities are practically the same). In contrast to the HF approach, the DFT calculations predict much larger spatial spin separation near the wire edge for the low magnetic fields (when the compressible strips for spinless electrons are not formed yet). In the opposite limit of the large fields, the Hatree-Fock and the DFT approaches give very similar values for the spatial spin separation.

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