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Charge-density-wave transitions, phase diagram, soft phonon and possible electronic nematicity: a thermodynamic investigation of BaNi2(As,P)2

2022/07/05 by C. Meingast, Anmol Shukla, Meingast, Christoph +21
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Inorganic Chemistry and Materials #Iron-based superconductors research #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con)

paper · pdf · doi:10.48550/arxiv.2207.02294

openalex publication_date 2022/07/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A detailed investigation of BaNi2(As,P)2 single crystals using high-resolution thermal-expansion, heat-capacity,Young-modulus and resistivity measurements is presented. The experimental data are complemented by density-functional calculations. The phase diagram of BaNi2(As,P)2 is shown to be much richer than suggested by the original data of Kudo et al. [Phys. Rev. Lett. 109, 097002 (2012)]. The transition to the commensurate charge-density-wave (C-CDW) is always preceded by a four-fold symmetry-breaking transition associated with the long-range ordering of a strongly fluctuating unidirectional incommensurate charge-density wave (I-CDW). Significant precursors above the I-CDW and C-CDW transitions are seen in the thermal expansion and resistivity and are particularly evident in the temperature dependence of the c/a ratio of the lattice parameters. Heat-capacity measurements of the crystals with a higher P content and a higher critical temperature of 3.2 K uncover a Debye-like behavior of a soft-phonon mode with a very low Debye temperature of roughly 15 K. Associated with this soft phonon are unusually large thermal-expansion anomalies, resulting in logarithmically diverging uniaxial phonon Grueneisen parameters. Young-modulus data of these higher-Tc crystals exhibit a significant softening in both B1g and B2g channels, which is argued to be incompatible with nematic criticality and is rather associated with a broad phase transition to an hitherto unknown structure. Possible origins of the increase in the superconducting critical temperature with P-substitution are discussed.

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