Contributor info: Dr Jasper van Wezel

Ana Silva, Jasper van Wezel

SciPost Phys. 4, 028 (2018) · published 13 June 2018 | Toggle abstract · pdf

Polonium is the only element to crystallise into a simple cubic structure at ambient conditions. Moreover, at high temperatures it undergoes a structural phase transition into a less symmetric trigonal configuration. It has long been suspected that the strong spin-orbit coupling in Polonium is involved in both peculiarities, but the precise mechanism by which it operates remains controversial. Here, we introduce a single microscopic model capable of capturing the atomic structure of all chalcogen crystals: Selenium, Tellurium, and Polonium. We show that the strong spin-orbit coupling in Polonium suppresses the trigonal charge and orbital ordered state known to be the ground state configuration of Selenium and Tellurium, and allows the simple cubic state to prevail instead. We also confirm a recent suggestion based on ab initio calculations that a small increase in the lattice constant may effectively decrease the role of spin-orbit coupling, leading to a re-emergence of the trigonal orbital ordered state at high temperatures. We conclude that Polonium is a unique element, in which spins, orbitals, electronic charges, and lattice deformations all cooperate and collectively cause the emergence of the only elemental crystal structure with the simplest possible, cubic, lattice.

S. V. Ramankutty, J. Henke, A. Schiphorst, R. Nutakki, S. Bron, G. Araizi-Kanoutas, S. K. Mishra, Lei Li, Y. K. Huang, T. K. Kim, M. Hoesch, C. Schlueter, T. -L. Lee, A. de Visser, Zhicheng Zhong, Jasper van Wezel, E. van Heumen, M. S. Golden

SciPost Phys. 4, 010 (2018) · published 21 February 2018 | Toggle abstract · pdf

SrMnSb$_2$ is suggested to be a magnetic topological semimetal. It contains square, 2D Sb planes with non-symmorphic crystal symmetries that could protect band crossings, offering the possibility of a quasi-2D, robust Dirac semi-metal in the form of a stable, bulk (3D) crystal. Here, we report a combined and comprehensive experimental and theoretical investigation of the electronic structure of SrMnSb$_2$, including the first ARPES data on this compound. SrMnSb$_2$ possesses a small Fermi surface originating from highly 2D, sharp and linearly dispersing bands (the Y-states) around the (0,$\pi$/a)-point in $k$-space. The ARPES Fermi surface agrees perfectly with that from bulk-sensitive Shubnikov de Haas data from the same crystals, proving the Y$-$states to be responsible for electrical conductivity in SrMnSb$_2$. DFT and tight binding (TB) methods are used to model the electronic states, and both show good agreement with the ARPES data. Despite the great promise of the latter, both theory approaches show the Y-states to be gapped above E$_F$, suggesting trivial topology. Subsequent analysis within both theory approaches shows the Berry phase to be zero, indicating the non-topological character of the transport in SrMnSb$_2$, a conclusion backed up by the analysis of the quantum oscillation data from our crystals.