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

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arxiv 0905.0841 v2 pith:3PFUGCNG submitted 2009-05-06 cond-mat.supr-con cond-mat.str-el

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

classification cond-mat.supr-con cond-mat.str-el
keywords transitionbanistructuralbandcombinedopticalphasereduction
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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