磁性和非磁性隧道结及器件输运性质的第一性原理分析-first principles analysis of magnetic and non-magnetic tunnel junctions and transport properties of devices.docxVIP

ties of the MgO barrier. There is a spin up ?1 state at the Fermi level in LSMO electrode, which has the smallest decay parameter within the MgO barrier, and a spin up ?1 state, a spin down ?5 state at the Fermi level in ferromagnetic SRO electrode, respectively. When in anti-parallel magnetization configuration, the ?1 state in LSMO can tunnel through the MgO barrier and enter the spin up ?1 band of SRO more easily, but there is no ?1 state at Fermi level in SRO, so the reverse current is much smaller than the positive current andlead to a rectifying behavior. In La2/3Sr1/3MnO3/SrTiO3/SrRuO3 magnetic tunnel junction, no such rectifying behavior is exhibited. We prove this rectifying effect can be enhanced by increasing the MgO barrier thickness, and can be controlled by changing the magnetiza- tion configuration of two electrodes. This rectifying property which is totally dominated bythe quantum tunneling, could be used to design faster quantum devices compare to conven- tional semiconductor devices, e.g., tunnel diode and tunnel transistor for the future device applications.Finally， we propose a tunnel diode model and present its principle. In a tri-layerstructure which a insulating barrier is sandwiched by two metallic electrodes, if one electrode (emitter) has the smallest decay state band across the Fermi level, they can tunnel through the barrier more easily compared to other states, and there is a smallest decay state band not across but above the Fermi level of the other electrode (acceptor), it can receive the smallest decay states come from the emitter, this tunnel junction will exhibit a rectifying behavior. We study the Ag/MgO/SrRuO3 tunnel junction as an illustration, the calculated I-V curve of the junction shows a good rectifying behavior, and a high rectification ratio in a wide bias range. Our calculations show this tunnel diode is available.Key words: spintronics, spin-polarized transport, magnetic tunnel junction, tunnel magne- toresistance, rec