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Register a new userExchange-correlation corrections for electronic properties of half-metallic Co$_2$FeSi and nonmagnetic semiconductor CoFeTiAl
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We consider two cobalt-based full-Heusler compounds CoFeTiAl and Co$_2$FeSi, for which Coulomb correlation effects play an important role. Since the standard GGA scheme does not provide a precise description of the electronic properties near the Fermi level, we use a meta-GGA functional capable to improve the description of the electronic properties of CoFeTiAl and Co$_2$FeSi. In particular, we find a better agreement with the experiment for the magnetic moment and the energy-band gap. Moreover, our calculations show that pressure enhances the insulating properties of Co$_2$FeSi and CoTiFeAl.
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We report the deposition of thin Co$_2$FeSi films by RF magnetron sputtering. Epitaxial (100)-oriented and L2$_1$ ordered growth is observed for films grown on MgO(100) substrates. (110)-oriented films on Al$_2$O$_3$(110) show several epitaxial domains in the film plane. Investigation of the magnetic properties reveals a saturation magnetization of 5.0 $mu_B/f.u.$ at low temperatures. The temperature dependence of the resistivity $rho_{xx}(T)$ exhibits a crossover from a T^3.5 law at T<50K to a T^1.65 behaviour at elevated temperatures. $rho_{xx}(H)$ shows a small anisotropic magnetoresistive effect. A weak dependence of the normal Hall effect on the external magnetic field indicates the compensation of electron and hole like contributions at the Fermi surface.
We present experimental XMLD spectra measured on epitaxial (001)-oriented thin Co$_{2}$FeSi films, which are rich in features and depend sensitively on the degree of atomic order and interdiffusion from capping layers. Al- and Cr-capped films with different degrees of atomic order were prepared by DC magnetron sputtering by varying the deposition temperatures. The local structural properties of the film samples were additionally investigated by nuclear magnetic resonance (NMR) measurements. The XMLD spectra of the different samples show clear and uniform trends at the $L_{3,2}$ edges. The Al-capped samples show similar behavior as previous measured XMLD spectra of Co$_2$FeSi$_{0.6}$Al$_{0.4}$. Thus, we assume that during deposition Al atoms are being implanted into the subsurface of Co$_{2}$FeSi. Such an interdiffusion is not observed for the corresponding Cr-capped films, which makes Cr the material of choice for capping Co$_{2}$FeSi films. We report stronger XMLD intensities at the $L_{3,2}$ Co and Fe egdes for films with a higher saturation magnetization. Additionally, we compare the spectra with textit{ab initio} predictions and obtain a reasonably good agreement. Furthermore, we were able to detect an XMCD signal at the Si $L$-edge, indicating the presence of a magnetic moment at the Si atoms.
By means of first-principles density functional theory calculations, we find that hydrogen-passivated ultrathin silicon nanowires (SiNWs) along [100] direction with symmetrical multiple surface dangling bonds (SDBs) and boron doping can have a half-metallic ground state with 100% spin polarization, where the half-metallicity is shown quite robust against external electric fields. Under the circumstances with various SDBs, the H-passivated SiNWs can also be ferromagnetic or antiferromagnetic semiconductors. The present study not only offers a possible route to engineer half-metallic SiNWs without containing magnetic atoms but also sheds light on manipulating spin-dependent properties of nanowires through surface passivation.
We report on optically induced, ultrafast magnetization dynamics in the Heusler alloy $mathrm{Co_{2}FeAl}$, probed by time-resolved magneto-optical Kerr effect. Experimental results are compared to results from electronic structure theory and atomistic spin-dynamics simulations. Experimentally, we find that the demagnetization time ($tau_{M}$) in films of $mathrm{Co_{2}FeAl}$ is almost independent of varying structural order, and that it is similar to that in elemental 3d ferromagnets. In contrast, the slower process of magnetization recovery, specified by $tau_{R}$, is found to occur on picosecond time scales, and is demonstrated to correlate strongly with the Gilbert damping parameter ($alpha$). Our results show that $mathrm{Co_{2}FeAl}$ is unique, in that it is the first material that clearly demonstrates the importance of the damping parameter in the remagnetization process. Based on these results we argue that for $mathrm{Co_{2}FeAl}$ the remagnetization process is dominated by magnon dynamics, something which might have general applicability.
A Co$_2$FeSi (CFS) film with L2$_1$ structure was irradiated with different fluences of 30 keV Ga$^+$ ions. Structural modifications were subsequently studied using the longitudinal (LMOKE) and quadratic (QMOKE) magneto-optical Kerr effect. Both the coercivity and the LMOKE amplitude were found to show a similar behavior upon irradiation: they are nearly constant up to ion fluences of $approx6times10^{15}$ ion/cm$^2$, while they decrease with further increasing fluences and finally vanish at a fluence of $approx9times10^{16}$ ion/cm$^2$, when the sample becomes paramagnetic. However, contrary to this behavior, the QMOKE signal nearly vanishes even for the smallest applied fluence of $3times10^{14}$ ion/cm$^2$. We attribute this reduction of the QMOKE signal to an irradiation-induced degeneration of second or higher order spin-orbit coupling, which already happens at small fluences of 30 keV Ga$^+$ ions. On the other hand, the reduction of coercivity and LMOKE signal with high ion fluences is probably caused by a reduction of the exchange interaction within the film material.
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