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Register a new userElectron correlations in Co$_2$Mn$_{1-x}$Fe$_x$Si Heusler compounds
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This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure calculations based on the local approximation to spin-density functional theory (LSDA). Correlation effects are treated in terms of the Dynamical Mean-Field Theory (DMFT) and the LSDA+U approach. The formalism is implemented within the Korringa-Kohn-Rostoker (KKR) Greens function method. In good agreement with the available experimental data the magnetic and spectroscopic properties of the compound are explained in terms of strong electronic correlations. In addition the correlation effects have been analysed separately with respect to their static or dynamical origin. To achieve a quantitative description of the electronic structure of Co$_2$Mn$_{1-x}$Fe$_x$Si both static and dynamic correlations must be treated on equal footing.
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We report a comprehensive small-angle neutron scattering~(SANS) study of Mn$_{1-x}$Fe$_{x}$Si at zero magnetic field. To delineate changes of magneto-crystalline anisotropies (MCAs) from effects due to defects and disorder, we recorded complementary susceptibility and specific heat data, and investigated selected compositions of Mn$_{1-x}$Co$_{x}$Si. For all systems studied the transition temperature and magnetic phase diagrams evolve monotonically with composition consistent with literature. The SANS patterns of the magnetic order recorded under zero-field cooling display strong changes of the directions of the intensity maxima and smeared out intensity distributions as a function of composition. We show that cubic MCAs account for the complex evolution of the SANS patterns, where for increasing $x$ the character of the MCAs shifts from terms that are fourth-order to terms that are sixth order in spin--orbit coupling. The magnetic field dependence of the susceptibility and SANS establishes that the helix reorientation as a function of magnetic field for Fe- or Co-doped MnSi is dominated by pinning due to defects and disorder. The presence of thermodynamic anomalies of the specific heat at the phase boundaries of the skyrmion lattice phase in the doped samples and properties observed in Mn$_{1-x}$Co$_{x}$Si establishes that the pinning due to defects and disorder remains, however, weak and comparable to the field scale of the helix reorientation. The observation that MCAs, that are sixth order in spin-orbit coupling, play an important role for the spontaneous order in Mn$_{1-x}$Fe$_{x}$Si and Mn$_{1-x}$Co$_{x}$Si, offering a fresh perspective for a wide range of topics in cubic chiral magnets such as the generic magnetic phase diagram, the morphology of topological spin textures, the paramagnetic-to-helical transition, and quantum phase transitions.
We present a comprehensive investigation of the evolution of helimagnetic correlations in Mn$_{1-x}$Fe$_x$Si with increasing doping. By combining polarised neutron scattering and high resolution Neutron Spin Echo spectroscopy we investigate three samples with $x$=0.09, 0.11 and 0.14, i.e. with compositions on both sides of the concentration $x^* sim 0.11$ where the helimagnetic Bragg peaks disappear and between $x^*$ and the quantum critical concentration $x_C sim 0.17$, where $T_C$ vanishes. We find that the abrupt disappearance of the long range helical periodicity at $x^*$, does not affect the precursor fluctuating correlations. These build up with decreasing temperature in a similar way as for the parent compound MnSi. Also the dynamics bears strong similarities to MnSi. The analysis of our results indicates that frustration, possibly due to achiral RKKY interactions, increases with increasing Fe doping. We argue that this effect explains both the expansion of the precursor phase with increasing $x$ and the abrupt disappearance of long range helimagnetic periodicity at $x^*$.
We present thermopower measurements on Yb(Rh$_{1-x}$Co$_x$)$_2$Si$_2$. Upon Co substitution the Kondo temperature is decreasing and the single large thermopower minimum observed for YbRh$_2$Si$_2$ splits into two minima. Simultaneously, the absolute thermopower values are strongly reduced due to a weaker exchange coupling between the $4f$ and the conduction electron states with increasing $x$. Pure YbCo$_2$Si$_2$ is considered a stable, trivalent system. Nevertheless, we still observe two minima in the thermopower indicative of weak residual Kondo scattering. This is in line with results from photo emission spectroscopy revealing a tiny contribution from Yb$^{2+}$. The value at the high-$T$ minimum in $S(T)$ is found to be proportional to the Sommerfeld coefficient for the whole series. This unexpected finding is discussed in relation to recent measurements of the valence and Fermi surface evolution with temperature.
We report on a new method to determine the degree of bulk spin polarization in single crystal Co$_{(1-x)}$Fe$_x$S$_2$ by modeling magnetic Compton scattering with {it ab initio} calculations. Spin-dependent Compton profiles were measured for CoS$_2$ and Co$_{0.9}$Fe$_{0.1}$S$_2$. The {it ab initio} calculations were then refined by rigidly shifting the bands to provide the best fit between the calculated and experimental directional profiles for each sample. The bulk spin polarizations, $P$, corresponding to the spin-polarized density of states at the Fermi level, were then extracted from the {it refined} calculations. The values were found to be $P=-72 pm 6 %$ and $P=18 pm 7%$ for CoS$_2$ and Co$_{0.9}$Fe$_{0.1}$S$_2$ respectively. Furthermore, determinations of $P$ weighted by the Fermi velocity ($v_F$ or $v_F^2$) were obtained, permitting a rigorous comparison with other experimental data and highlighting the experimental dependence of $P$ on $v_F$.
The random substitutional solid solution between the antiferromagnetic (AFM) full-Heusler alloy Ru$_2$MnSn and the ferromagnetic (FM) full-Heusler alloy Ru$_2$FeSn provides a rare opportunity to study FM-AFM phase competition in a near-lattice-matched, cubic system, with full solubility. At intermediate $x$ in Ru$_2$Mn$_{1-x}$Fe$_x$Sn this system displays suppressed magnetic ordering temperatures, spatially coexisting FM and AFM order, and strong coercivity enhancement, despite rigorous chemical homogeneity. Here, we construct the most detailed temperature- and $x$-dependent understanding of the magnetic phase competition and coexistence in this system to date, combining wide-temperature-range neutron diffraction and small-angle neutron scattering with magnetometry and specific heat measurements on thoroughly characterized polycrystals. A complete magnetic phase diagram is generated, showing FM-AFM coexistence between $x approx 0.30$ and $x approx 0.70$. Important new insight is gained from the extracted length scales for magnetic phase coexistence (25-100 nm), the relative magnetic volume fractions and ordering temperatures, in addition to remarkable $x$-dependent trends in magnetic and electronic contributions to specific heat. An unusual feature in the magnetic phase diagram (an intermediate FM phase) is also shown to arise from an extrinsic effect related to a minor Ru-rich secondary phase. The established magnetic phase diagram is then discussed with the aid of phenomenological modeling, clarifying the nature of the mesoscale phase coexistence with respect to the understanding of disordered Heisenberg models.
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