Comment on "Systematics of the Induced Magnetic Moments in 5d Layers and the Violation of the Third Hund's Rule"

Comment on F. Wilhelm et al., Phys. Rev. Lett. 87, 207202 (2001)Comment: 1 pag

Experimental and theoretical study of the correlated compound YbCdSn: Evidence for large magnetoresistance and mass enhancement

The unusual features of topological semimetals arise from its nontrivial band structure. The impact of strong electron correlations on the topological states remains largely unexplored in real materials. Here, we report the magnetotransport properties of YbCdSn single crystals. We found two fundamental experimental evidences of electron correlations through magnetic susceptibility and specific heat. The electron correlations in this compound lead to an intermediate valence state and enhance the effective mass of the charge carriers. This correlated state exhibits large nonsaturating magnetoresistance, low carrier density, magnetic field induced metal-semiconductor-like crossover and a plateau in resistivity at low temperatures. This compound also shows a cusp-like magnetoconductivity at low magnetic field which indicates the presence of weak antilocalization effect. Our band structure calculations of Yb$^{2+}$ state predict YbCdSn to be a topological nodal-line semimetal.Comment: 10 Pages, 8 Figures, Published, Phys. Rev.

Complex magnetism of lanthanide intermetallics unravelled

We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab-initio electronic structure theory which includes disordered local moments and strong $f$-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with pressure of +1.5 K kbar$^{-1}$ for GdCd confirmed by our experimental measurements of +1.6 K kbar$^{-1}$. Moreover we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by non-collinear, canted magnetic order at low temperatures. Replacing 35\% of the Mg atoms with Zn removes this transition in excellent agreement with longstanding experimental data.Comment: 11 pages, 4 figure

On positron annihilation in concentrated random alloys and superconducting cuprates

We discuss an application of a generalisation of the Lock-Crisp-West theorem to concentrated random alloys. Using a theory developed for binary random alloys we explore a possibility of positron localisation in the new high temperature superconductors. 7 refs., 1 fig

Ab initio angle-resolved photoemission in multiple-scattering formulation

Abstract The theory of ab initio semi-relativistic angle-resolved photoemission calculations is formulated within the real-space multiple-scattering theory and the single-particle approximation. It has the flexibility and simplicity required for studying systems with layered structures and more general complex geometries. For layered structures the layer-resolved potentials are obtained self-consistently using the Korringa-Kohn-Rostoker (KKR) method. The advantage of the present approach is that the self-consistent potential and the photocurrent are treated on the same footing and calculated within the same formalism. The approach is illustrated through a study of the angleresolved photoemission for real-space, layered systems with two-dimensional periodicity, with specific application to Cu

Pressure Induced Charge Disproportionation in LaMnO3_{3}

We present a total energy study as a function of volume in the cubic phase of LaMnO$_{3}$. A charge disproportionated state into planes of Mn$^{3+}$O$_{2}$/Mn$^{4+}$O$_{2}$ was found. It is argued that the pressure driven localisation/delocalisation transition might go smoothly through a region of Mn$^{3+}$ and Mn$^{4+}$ coexistence.Comment: 3 pages, 1 figure, Conference Proceedings: Nanospintronics: Design and Realization (Kyoto, Japan 24-28 May, 2004