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Register a new userFirst-principles investigations of the magnetic phase diagram of Gd$_{1-x}$Ca$_{x}$MnO$_{3}$
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We studied for the first time the magnetic phase diagram of the rare-earth manganites series Gd$_{1-x}$Ca$_{x}$MnO$_{3}$ (GCMO) over the full concentration range based on density functional theory. GCMO has been shown to form solid solutions. We take into account this disordered character by adapting special quasi random structures at different concentration steps. The magnetic phase diagram is mainly described by means of the magnetic exchange interactions between the Mn sites and Monte Carlo simulations were performed to estimate the corresponding transition temperatures. They agree very well with recent experiments. The hole doped region $x<0.5$ shows a strong ferromagnetic ground state, which competes with A-type antiferromagnetism at higher Ca concentrations $x>0.6$.
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We have demonstrated the effect of pressure on the steplike metamagnetic transition and its associated magnetostriction in (Eu$_{1-x}$Gd$_{x}$)$_{0.6}$Sr$_{0.4}$MnO$_{3}$ ($x=0$ and 0.1). The critical field initiating the field induced ferromagnetic transition in both samples is lowered by the applied pressure. The further application of external pressure up to 1.2 GPa on the $x=0$ parent sample causes a spontaneous ferromagnetic transition with a second-oder like character, leading to collapses of the steplike transition and its concomitant lattice striction. These findings indicate a crucial role of the low-temperature phase separated state characterized by a suppressed magnetization upon decreasing temperature.
The transport and magnetic properties of correlated La{0.53}Sr{0.47}MnO{3} ultrathin films, grown epitaxially on SrTiO{3}, show a sharp cusp at the structural transition temperature of the substrate. Using a combination of experiment and theory we show that the cusp is a result of resonant coupling between the charge carriers in the film and a soft phonon mode in the SrTiO{3}, mediated through oxygen octahedra in the film. The amplitude of the mode diverges towards the transition temperature, and phonons are launched into the first few atomic layers of the film affecting its electronic state.
We present a theoretical analysis of the magnetic phase diagram of CeTi$_{1-x}$Sc$_{x}$Ge and GdFe$_{1-x}$Co$_{x}$Si as a function of the temperature and the Sc and Co concentration $x$, respectively. CeScGe and GdCoSi, as many other RTX (R=rare earth, T=transition metal, X=p-block element) compounds, present a tetragonal crystal structure where bilayers of R are separated by layers of T and X. While GdFeSi and CeTi$_{0.75}$Sc$_{0.25}$Ge are ferromagnetic, CeScGe and GdCoSi order antiferromagnetically with the R 4f magnetic moments on the same bilayer aligned ferromagnetically and magnetic moments in nearest neighbouring bilayers aligned antiferromagnetically. The antiferromagnetic transition temperature $T_N$ decreases with decreasing concentration $x$ in both compounds and for low enough values of $x$ the compounds show a ferromagnetic behavior. Based on these observations we construct a simplified model Hamiltonian that we solve numerically for the specific heat and the magnetization. We find a good qualitative agreement between the model and the experimental data. Our results show that the main magnetic effect of the Sc $to$ Ti and Co $to$ Fe substitution in these compounds is consistent with a change in the sign of the exchange coupling between magnetic moments in neighbouring bilayers. We expect a similar phenomenology for other magnetic RTX compounds with the same type of crystal structure.
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This work reports on magnetic, dielectric, thermodynamic and magnetoelectric properties of Gd$_{1-x}$Y$_{x}$MnO$_{3}$, with 0 leq x leq 0.4, with emphasis on the (x, T) phase diagram, towards unraveling the role of the driving mechanisms in stabilizing both magnetic and ferroelectric orderings. The (x, T) phase diagram reflects the effect of lattice distortions induced by the substitution of $Gd^{3+}$ ion by smaller $Y^{3+}$ ion, which gradually unbalances the antiferromagnetic against the ferromagnetic exchange interactions, enabling the emergence of ferroelectricity for higher concentrations of yttrium. For $x leq 0.1$, the paramagnetic phase is followed by a presumably incommensurate collinear antiferromagnetic phase, then a weak ferromagnetic canted A-type antiferromagnetic ordering is established at lower temperatures.For $0.2 leq x leq 0.4$, a different phase sequence is obtained. The canted A-type antiferromagnetic arrangement is no more stable, and instead a pure antiferromagnetic ordering is stabilized below T$_{lock}$ $approx$ 14 - 17 K, with an improper ferroelectric character. From these results, a cycloid modulated spin arrangement at low temperatures is proposed, accordingly to the inverse Dzyaloshinskii Moriya model. Anomalous temperature dependence of the dipolar relaxation energy and magnetization evidence for structural and magnetic changes occurring at $T* approx 22 - 28 K$, for $0.1 leq x leq 0.4$.
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