Uniaxial negative thermal expansion in a weak-itinerant-ferromagnetic phase of CoZr${}_2$H${}_{3.49}$

Abstract

We discovered unique uniaxial negative thermal expansion (NTE) behavior for a weak-itinerant-ferromagnetic phase of CoZr${}_2$H${}_{3.49}$. CoZr${}_2$ is known as a superconductor exhibiting uniaxial NTE along the $c$-axis, which is called anomalous thermal expansion (ATE). Additionally, CoZr${}_2$ is also known as a well-absorbent of hydrogen, and hydrogen insertion raises weak-itinerant ferromagnetism instead of superconductivity. However, the influence of hydrogen insertion on ATE behavior in this system is still unclear. To investigate it, we performed powder synchrotron X-ray diffraction (SXRD) for CoZr${}_2$H${}_{3.49}$. Through Arrott plots analysis, we determined the Curie temperature ($T_{\mathrm{C}}$) to be 139 K, and the Rhodes-Wohlfarth ratio was estimated to be 3.49, which clearly exceeds 1, suggesting the itinerancy of emerging ferromagnetism. Temperature dependencies of lattice constants $a$ and $c$ were extracted from powder SXRD analyses, and we revealed that lattice constant $c$ exhibited NTE behavior below $T_{\mathrm{C}}$. The uniaxial NTE behavior along the $c$-axis can be understood by sharpening an antibonding Co3$d{z}^2$ partial density of states near the Fermi level, linked to the expansion of a one-dimensional Co-Co chain running parallel to the $c$-axis.

12 pages, 9 figures