FIRST-PRINCIPLES CALCULATION OF MAGNETO-ELECTRONIC STRUCTURE OF MOLECULE-FERROMAGNET HYBRID TUNNEL JUNCTIONS

被引：1

作者：

Ansarino, Masoud ^{[1
]}

Ravan, Bahram Abedi ^{[2
]}

Ahmadizadeh, Yadollah ^{[2
]}

机构：

[1] Islamic Azad Univ, Fac Sci, South Tehran Branch, Tehran, Iran

[2] Shahid Sattari Aeronaut Univ Sci & Technol, Dept Basic Sci, Tehran, Iran

来源：

MODERN PHYSICS LETTERS B | 2013年 / 27卷 / 28期

关键词：

Molecular nanojunctions; electronic structure; spin polarization; exchange energy; SPIN; MAGNETORESISTANCE; TRANSPORT; CARBON; INTERFACE;

D O I：

10.1142/S0217984913502059

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

In this paper, using first-principles calculations the electronic and magnetic structure of trans- and cis-polyacetylene based magnetic tunnel junctions is investigated. Energy minimization calculations are performed to obtain the equilibrium bonding length at the metal/polymer interfaces. Magnetic proximity-induced spin polarization across the polymeric chains is calculated and it is shown that irrespective of the parallel or anti-parallel magnetic configuration of the electrodes the carbon atoms attaching the Fe electrodes get oppositely polarized. Local density of states calculations reveal that, as a result of being attached to the ferromagnetic leads, states are induced in the energy gap region of molecule's p(x) and p(y) orbitals which infers their contribution in electronic transmission of the device.

引用

页数：10

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