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arXiv 1203.0104cond-mat.mes-hall
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Fe/MgAl2O4/Fe(001)磁性隧道结隧穿磁电阻的第一性原理研究

A first-principles study of tunneling magnetoresistance in Fe/MgAl2O4/Fe(001) magnetic tunnel junctions

Yoshio Miura, Shingo Muramoto, Kazutaka Abe, Masafumi Shirai

摘要:

利用第一性原理计算研究了Fe/MgAl 2 O 4/Fe(001)磁性隧道结的电子结构和弹道电导随自旋的变化.计算得到的Fe/MgAl 2 O 4/Fe(001)MTJ的隧道磁电阻(TMR)比约为160%,远小于相同势垒厚度的Fe/MgO/Fe(001)MTJ的TMR比(1600%)。而在正常尖晶石MgAl 2 O 4的费米能级附近的能隙中存在δ 1对称的倏逝态,表明Fe/MgAl 2 O 4/Fe(001)MTJ中可能存在大的TMR. Fe/MgAl 2 O 4/Fe(001)MTJ的小TMR比是由于Fe电极的面内波矢量(k//)的二维(2-D)布里渊区中的带折叠效应导致的少数自旋态中的新导电沟道。由于MgAl 2 O 4的面内晶胞尺寸是bcc Fe的原始面内晶胞尺寸的两倍,边界边缘的能带被折叠,并且在MgAl 2 O 4势垒中与δ 1倏逝态耦合的少数自旋态出现在k//=0处,这显著降低了MTJ的TMR比。

英文摘要:

We investigated the spin-dependent transport properties of Fe/MgAl2O4/Fe(001) magnetic tunneling junctions (MTJs) on the basis of first-principles calculations of the electronic structures and the ballistic conductance. The calculated tunneling magnetoresistance (TMR) ratio of a Fe/MgAl2O4/Fe(001) MTJ was about 160%, which was much smaller than that of a Fe/MgO/Fe(001) MTJ (1600%) for the same barrier thickness. However, there was an evanescent state with delta 1 symmetry in the energy gap around the Fermi level of normal spinel MgAl2O4, indicating the possibility of a large TMR in Fe/MgAl2O4/Fe(001) MTJs. The small TMR ratio of the Fe/MgAl2O4/Fe(001) MTJ was due to new conductive channels in the minority spin states resulting from a band-folding effect in the two-dimensional (2-D) Brillouin zone of the in-plane wave vector (k//) of the Fe electrode. Since the in-plane cell size of MgAl2O4 is twice that of the primitive in-plane cell size of bcc Fe, the bands in the boundary edges are folded, and minority-spin states coupled with the delta 1 evanescent state in the MgAl2O4 barrier appear at k//=0, which reduces the TMR ratio of the MTJs significantly.

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