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Magnetic tunnel junctions (MTJs) have attracted strong research interest within the last decades due to their potential use as nonvolatile memory such as MRAM as well as for magnetic logic applications. Half-metallic magnets (HMMs) have been suggested as ideal electrode materials for MTJs to achieve an extremely large tunnel-magnetoresistance (TMR) effect. Despite their high TMR ratios, MTJs based on HMMs do not exhibit current rectification, i.e., a diode effect, which was achieved in a magnetic tunnel junction concept based on HMMs and type-II spin-gapless semiconductors (SGSs). The proposed concept has recently been experimentally demonstrated using Heusler compounds. In the present work, we investigate from first-principles MTJs based on type-II SGS and HMM quaternary Heusler compounds FeVTaAl, FeVTiSi, MnVTiAl, and CoVTiSb. Our $ab$ $initio$ quantum transport calculations based on a nonequilibrium Green's function method have demonstrated that the MTJs under consideration exhibit current rectification with relatively high on:off ratios. We show that, in contrast to conventional semiconductor diodes, the rectification bias voltage window (or breakdown voltage) of the MTJs is limited by the spin gap of the HMM and SGS Heusler compounds. A unique feature of the present MTJs is that the diode effect can be configured dynamically, i.e., depending on the relative orientation of the magnetization of the electrodes, the MTJ allows the electrical current to pass either in one or the other direction, which leads to an inverse TMR effect. The combination of nonvolatility, reconfigurable diode functionality, tunable rectification voltage window, and high Curie temperature of the electrode materials makes the proposed MTJs very promising for room-temperature spintronic applications and opens ways to magnetic memory and logic concepts as well as logic-in-memory computing., Comment: 14+7 pages, 7+10 figures

The Ohmic spin diode (OSD) is a recent concept in spintronics, which is based on half-metallic magnets (HMMs) and spin-gapless semiconductors (SGSs). Quaternary Heusler compounds offer a unique platform to realize the OSD for room temperature applications as these materials possess very high Curie temperatures as well as half-metallic and spin-gapless semiconducting behavior within the same family. Using state-of-the-art first-principles calculations combined with the non-equilibrium Green's function method we design four different OSDs based on half-metallic and spin-gapless semiconducting quaternary Heusler compounds. All four OSDs exhibit linear current-voltage ($I-V$) characteristics with zero threshold voltage $V_T$. We show that these OSDs possess a small leakage current, which stems from the overlap of the conduction and valence band edges of opposite spin channels around the Fermi level in the SGS electrodes. The obtained on/off current ratios vary between $30$ and $10^5$. Our results can pave the way for the experimental fabrication of the OSDs within the family of ordered quaternary Heusler compounds., Comment: 7 pages, 5 figures

The ideal diode is a theoretical concept that completely conducts the electric current under forward bias without any loss and that behaves like a perfect insulator under reverse bias. However, real diodes have a junction barrier that electrons have to overcome and thus they have a threshold voltage $V_T$, which must be supplied to the diode to turn it on. This threshold voltage gives rise to power dissipation in the form of heat and hence is an undesirable feature. In this work, based on half-metallic magnets and spin-gapless semiconductors we propose a diode concept that does not have a junction barrier and the operation principle of which relies on the spin-dependent transport properties of the HMM and SGS materials. We show that the HMM and SGS materials form an Ohmic contact under any finite forward bias, while for a reverse bias the current is blocked due to spin-dependent filtering of the electrons. Thus, the HMM-SGS junctions act as a diode with zero threshold voltage $V_T$, and linear $I-V$ characteristics as well as an infinite on:off ratio at zero temperature. However, at finite temperatures, non-spin-flip thermally excited high-energy electrons as well as low-energy spin-flip excitations can give rise to a leakage current and thus reduce the on:off ratio under a reverse bias. Furthermore, a zero threshold voltage allows one to detect extremely weak signals and due to the Ohmic HMM-SGS contact, the proposed diode has a much higher current drive capability and low resistance, which is advantageous compared to conventional semiconductor diodes. We employ the NEGF method combined with DFT to demonstrate the linear $I-V$ characteristics of the proposed diode based on two-dimensional half-metallic Fe/MoS$_2$ and spin-gapless semiconducting VS$_2$ planar heterojunctions., Comment: 12 pages, 9 figures

Reconfigurable magnetic tunnel diodes and transistors are a new concept in spintronics. The realization of such a device requires the use of materials with unique spin-dependent electronic properties such as half-metallic magnets (HMMs) and spin-gapless semiconductors (SGSs). Quaternary Heusler compounds offer a unique platform to design within the same family of compounds HMMs and SGSs with similar lattice constants to make coherent growth of the consecutive spacers of the device possible. Employing state-of-the-art first-principles calculations, we scan the quaternary Heusler compounds and identify suitable candidates for these spintronic devices combining the desirable properties: (i) HMMs with sizable energy gap or SGSs with spin gaps both below and above the Fermi level, (ii) high Curie temperature, (iii) convex hull energy distance less than 0.20 eV, and (iv) negative formation energies. Our results pave the way for the experimental realization of the proposed magnetic tunnel diodes and transistors., Comment: 13 pages, 9 figures