The quasi-skutterudite superconductor Sr$_3$Rh$_4$Sn$_{13}$ features a pronounced anomaly in electrical resistivity at $T^*sim$138 K. We show that the anomaly is caused by a second-order structural transition, which can be tuned to 0 K by applying ph
ysical pressure and chemical pressure via the substitution of Ca for Sr. A broad superconducting dome is centred around the structural quantum critical point. Detailed analysis of the tuning parameter dependence of $T^*$ as well as insights from lattice dynamics calculations strongly support the existence of a structural quantum critical point at ambient pressure when the fraction of Ca is 0.9 (i.e., $x_c=0.9$). This establishes (Ca$_x$Sr$_{1-x}$)$_3$Rh$_4$Sn$_{13}$ series as an important system for exploring the physics of structural quantum criticality without the need of applying high pressures.
Density functional theory methods are applied to investigate the properties of the new superconductor $beta$-YbAlB$_4$ and its polymorph $alpha$-YbAlB$_4$. We utilize the generalized gradient approximation + Hubbard U (GGA+U) approach with spin-orbit
(SO) coupling to approximate the effects of the strong correlations due to the open $4f$ shell of Yb. We examine closely the differences in crystal bonding and symmetry of $beta$-YbAlB$_4$ and $alpha$-YbAlB$_4$. The in-plane bonding structure amongst the dominant itinerant electrons in the boron sheets is shown to differ significantly. Our calculations indicate that, in both polymorphs, the localized 4$f$ electrons hybridize strongly with the conduction sea when compared to the related materials YbRh$_{2}$Si$_{2}$ and YbB$_{2}$. Comparing $beta$-YbAlB$_4$ to the electronic structure of related crystal structures indicates a key role of the 7-member boron coordination of the Yb ion in $beta$-YbAlB$_4$ in producing its enhanced Kondo scale and superconductivity. The Kondo scale is shown to depend strongly on the angle between the B neighbors and the Yb ion, relative to the $x-y$ plane, which relates some of the physical behavior to structural characteristics.
Using density functional theory we investigate the evolution of the magnetic ground state of NbFe$_{2}$ due to doping by Nb-excess and Fe-excess. We find that non-rigid-band effects, due to the contribution of Fe-textit{d} states to the density of st
ates at the Fermi level are crucial to the evolution of the magnetic phase diagram. Furthermore, the influence of disorder is important to the development of ferromagnetism upon Nb doping. These findings give a framework in which to understand the evolution of the magnetic ground state in the temperature-doping phase diagram. We investigate the magnetic instabilities in NbFe$_{2}$. We find that explicit calculation of the Lindhard function, $chi_{0}(mathbf{q})$, indicates that the primary instability is to finite $mathbf{q}$ antiferromagnetism driven by Fermi surface nesting. Total energy calculations indicate that $mathbf{q}=0$ antiferromagnetism is the ground state. We discuss the influence of competing $mathbf{q}=0$ and finite $mathbf{q}$ instabilities on the presence of the non-Fermi liquid behavior in this material.
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2 from other Fe-
pnictide compounds. In contrast to the tetragonal phase of other Fe-pnictides the electronic structure in the `collapsed tetragonal phase of CaFe2As2 is found to be strongly 3D. We discuss the influence of these properties on the formation of superconductivity and in particular we find evidence that both magnetic and lattice interactions may be important to the formation of superconductivity. We also find that the Local Spin Density Approximation is able to accurately predict the ordering moment in the low temperature orthorhombic phase.
We present a detailed quantum oscillation study of the Fermi surface of the recently discovered Yb-based heavy fermion superconductor beta-YbAlB4 . We compare the data, obtained at fields from 10 to 45 Tesla, to band structure calculations performed
using the local density approximation. Analysis of the data suggests that f-holes participate in the Fermi surface up to the highest magnetic fields studied. We comment on the significance of these findings for the unconventional superconducting properties of this material.
