4.6 Article

Origin of the structural phase transition in BaNi2As2 at 130 K: A combined study of optical spectroscopy and band structure calculations

Journal

PHYSICAL REVIEW B
Volume 80, Issue 9, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.094506

Keywords

arsenic alloys; band structure; barium alloys; carrier mobility; Fermi surface; nickel alloys; solid-state phase transformations; superconducting materials; superconducting transitions

Funding

  1. National Science Foundation of China
  2. Chinese Academy of Sciences
  3. Ministry of Science and Technology of China

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BaNi2As2 exhibits a first-order structural transition at 130 K. Understanding this structural transition is a crucial step toward 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 BaNi2As2 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.

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