Abstract:The ab initio full-potential linearized augmented plane-wave method explicitly designed for the slab geometry was employed to elucidate the physical origin of the layer potentials for the trilayers nFe/3Cr/nFe(001), where n is the number of Fe monolayers. The thickness of the transition-metal ferromagnet has been ranged from n = 1 up to n = 8 while the spacer thickness was fixed to 3 monolayers. The calculated potentials were inserted in the Fuchs-Sondheimer formalism in order to calculate the giant magnetores… Show more
“…While, MR p can directly reflect the spin-resolved interfacial scattering which dominates the electronic transport properties [57]. Then, a SV effect is reported that in metal layers, the interfacial scattering can either enhance or degrade MR p [58]. In our case, due to band match between the components of SV, T ↓ p , T ↑ ap and T ↓ ap at E F are almost zero which means the spin-resolved interfacial scattering can enhance MR p to almost 100%.…”
"All-Heusler'' spin-valve constructed by two half-metallic Heusler electrodes and a non-magnetic Heusler spacer contains two interfaces that have a crucial influence on the magnetoresistance. In order to reduce the disorder at the interface and protect the half metallicity of the electrode at the same region, we propose a scheme to construct a spin valve by replacing the Y-site atoms in the half-metallic Heusler electrode to obtain the corresponding non-magnetic spacer based on the Slater-Pauling rule. In this way, the lattice and band match of the two materials can be ensured naturally. By using Co2FeAl as electrode and Co2ScAl as the spacer materials, we construct the Co2FeAl/Co2ScAl/Co2FeAl(001)-spin valve. Based on the first-principles calculation, the most stable FeAl/CoCo-interface is determined both from the phonon spectra and the formation energy when the spacer Co2ScAl grows on the FeAl-terminated (001) surface of electrode material Co2FeAl. By comparing the projected density of states of the interfacial atoms with the corresponding density of states of the bulk electrode material, only the value of spin-up state of Al changes from 0.17 states/atom/eV to 0.06 states/atom/eV before and after substitution, the half metallicity at the interface is maintained. As a result, the spin-dependent transport properties show significant theoretical magnetoresistance MRop which can reach up to 1010% and much larger than 106% reported before.
“…While, MR p can directly reflect the spin-resolved interfacial scattering which dominates the electronic transport properties [57]. Then, a SV effect is reported that in metal layers, the interfacial scattering can either enhance or degrade MR p [58]. In our case, due to band match between the components of SV, T ↓ p , T ↑ ap and T ↓ ap at E F are almost zero which means the spin-resolved interfacial scattering can enhance MR p to almost 100%.…”
"All-Heusler'' spin-valve constructed by two half-metallic Heusler electrodes and a non-magnetic Heusler spacer contains two interfaces that have a crucial influence on the magnetoresistance. In order to reduce the disorder at the interface and protect the half metallicity of the electrode at the same region, we propose a scheme to construct a spin valve by replacing the Y-site atoms in the half-metallic Heusler electrode to obtain the corresponding non-magnetic spacer based on the Slater-Pauling rule. In this way, the lattice and band match of the two materials can be ensured naturally. By using Co2FeAl as electrode and Co2ScAl as the spacer materials, we construct the Co2FeAl/Co2ScAl/Co2FeAl(001)-spin valve. Based on the first-principles calculation, the most stable FeAl/CoCo-interface is determined both from the phonon spectra and the formation energy when the spacer Co2ScAl grows on the FeAl-terminated (001) surface of electrode material Co2FeAl. By comparing the projected density of states of the interfacial atoms with the corresponding density of states of the bulk electrode material, only the value of spin-up state of Al changes from 0.17 states/atom/eV to 0.06 states/atom/eV before and after substitution, the half metallicity at the interface is maintained. As a result, the spin-dependent transport properties show significant theoretical magnetoresistance MRop which can reach up to 1010% and much larger than 106% reported before.
“…Even though the generalized gradient approximation provides more accurate results, Herper et al verified that this is due to a better geometry optimization [11]. Since the atomic positions are well known for our systems, LSDA is adequate [12]. The crystalline structure of our system is going to be considered as body-centered cubic (bcc), fitting with the known crystalline structures of both Fe and Cr bulk metals [13].…”
Section: Structure and Computational Detailsmentioning
confidence: 97%
“…For thin layers, it is reported that for 3ML, the stable Cr structure is an unstrained bcc [14]. Furthermore, we assume that the bcc structure is going to be held all along the system with the same lattice constant: α = 2.88Å, because it has been found that the difference between studying the system using both lattice constants for each respective metal slab, and using only one for both metals, is negligible [12]. For the above reasons, we are not going to allow any relaxation of the structure.…”
Section: Structure and Computational Detailsmentioning
“…The resistance of the single thin metallic layers was calculated lately by Paja and co-workers [2,3] for the binary and ternary alloys [4,5]. The transport properties for trilayers and multilayers were considered in [6].…”
Basing our considerations on magnetic equation of state applied to the description of magnetic systems of confined geometry we developed the model of calculations of the electrical resistivity for metallic multilayers. It was shown that in the transport of charge in ferromagnetic material d-electrons play an important role. The key parameters in the presented model are: the width of the electron energy band and the shift of the energy level for two spin orientations as well as the Fermi energy and size of the sample (the thickness of magnetic and nonmagnetic layers and the total number of layers). The presented results of calculations for temperature dependence of magnetoresistance are in qualitative agreement with the available experimental data. The model calculations introduced in this paper can be applied to current-in-plane geometry as well as to current-perpendicular-to-plane geometry. The calculations are valid within the limitations of the resistor network model.
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