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Catalogue of phonon modes in several cuprate high-temperature superconductors from density functional theory

2020/10/20 by Noah J. Jabusch, Jabusch, N. J., Pavan Dayal +3
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #Superconductivity (cond-mat.supr-con)

paper · pdf · doi:10.48550/arxiv.2010.10553

openalex publication_date 2020/10/20 · openalex created_date 2020/10/29 · openalex updated_date 2026/07/28

Abstract

Cuprates are promising candidates for study in developing higher temperature superconductors. A thorough understanding of a material's phonon modes enables further investigation of its emergent properties, however, no complete reference of the phonon modes exists. Here, using density functional theory, we evaluate the phonon frequencies and atomic displacements for La2CuO4, Bi2Sr2CuO6, and Bi2Sr2CaCu2O8 in their tetragonal structures. The phonon modes for all materials agree with those expected from space group symmetry and display instabilities corresponding to known low-temperature structural phase transitions.

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