Origin of the structural phase transition at 130 K in BaNi$_2$As$_2$: a combined study of optical spectroscopy and band structure calculations

Abstract

BaNi$_2$As$_2$ exhibits a first order structural transition at 130 K. Understanding this structural transition is a crucial step towards understanding the electronic properties of the material. We present a combined optical spectroscopy and band structure calculation study on the compound across the transition. The study reveals that BaNi$_2$As$_2$ is a good metal with a rather high plasma frequency. The phase transition leads to a small reduction of conducting carriers. We identify that this reduction is caused by the removal of several small Fermi surface sheets contributed dominantly from the As-As bonding and Ni-As antibonding states.