Rare earth-based quaternary Heusler compounds MCoVZ (M = Lu, Y; Z = Si, Ge) with tunable band characteristics for potential spintronic applications
نویسندگان
چکیده
Magnetic Heusler compounds (MHCs) have recently attracted great attention since these types of material provide novel functionalities in spintronic and magneto-electronic devices. Among the MHCs, some compounds have been predicted to be spin-filter semiconductors [also called magnetic semiconductors (MSs)], spin-gapless semiconductors (SGSs) or half-metals (HMs). In this work, by means of first-principles calculations, it is demonstrated that rare earth-based equiatomic quaternary Heusler (EQH) compounds with the formula MCoVZ (M = Lu, Y; Z = Si, Ge) are new spin-filter semiconductors with total magnetic moments of 3 µB. Furthermore, under uniform strain, there are physical transitions from spin-filter semiconductor (MS) → SGS → HM for EQH compounds with the formula LuCoVZ, and from HM → SGS → MS → SGS → HM for EQH compounds with the formula YCoVZ. Remarkably, for YCoVZ EQH compounds there are not only diverse physical transitions, but also different types of spin-gapless feature that can be observed with changing lattice constants. The structural stability of these four EQH compounds is also examined from the points of view of formation energy, cohesive energy and mechanical behaviour. This work is likely to inspire consideration of rare earth-based EQH compounds for application in future spintronic and magneto-electronic devices.
منابع مشابه
Theoretical prediction of strain tuneable quaternary spintronic Heusler compounds
Heusler materials have attracted a large amount of attention in the development of spintronic technologies. In this issue, Wang et al. [IUCrJ (2017), 4, 758-768] show how strain can be used to tune the band structure of these materials.
متن کاملDesign Scheme of New Tetragonal Heusler Compounds for Spin-Transfer Torque Applications and its Experimental Realization
Band Jahn-Teller type structural instabilities of cubic Mn(2)YZ Heusler compounds causing tetragonal distortions can be predicted by ab initio band-structure calculations. This allows for identification of new Heusler materials with tunable magnetic and structural properties that can satisfy the demands for spintronic applications, such as in spin-transfer torque-based devices.
متن کاملComparison of the effect of Si and Ge presence on phase formation process, the structural and magnetic properties of Co2FeX (X=Ge,Si) Heusler compounds
In this study, the Co2FeX (X=Ge, Si) Heusler compounds with 30 valence electrons, which are made by using mechanical alloying and arc melting methods were studied. The crystallization of samples was confirmed by XRD data in both manufacturing methods. The results showed that the presence of Si than Ge in the compound played a more effective role to creation a large scale atomic ordering, and th...
متن کاملObservation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)
Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusua...
متن کاملRE2MAl6Si4 (RE = Gd, Tb, Dy; M = Au, Pt): layered quaternary intermetallics featuring CaAl2Si2-type and YNiAl4Ge2-type slabs grown from aluminum flux.
Six new intermetallic aluminum silicides--Gd(2)PtAl(6)Si(4), Gd(2)AuAl(6)Si(4), Tb(2)PtAl(6)Si(4), Tb(2)AuAl(6)Si(4), Dy(2)PtAl(6)Si(4), and Dy(2)AuAl(6)Si(4)--have been obtained from reactions carried out in aluminum flux. The structure of these compounds was determined by single-crystal X-ray diffraction. They form in space group Rthremacr;m with cell constants of a = 4.1623(3) A and c = 51.0...
متن کامل