Giant Nonadiabatic Effects in Layer Metals: Raman Spectra of Intercalated Graphite Explained

2008/02/29 by A. Marco Saitta, Michele Lazzeri, Matteo Calandra +1 · 4 citations
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #MXene and MAX Phase Materials #Superconductivity in MgB2 and Alloys #cond-mat.mtrl-sci #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevlett.100.226401

4 pages, 3 figures, 1 table

arxiv created 2008/03/01 · openalex publication_date 2008/06/02 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The occurrence of nonadiabatic effects in the vibrational properties of metals has been predicted since the 1960s, but hardly confirmed experimentally. We report the first fully ab initio calculations of nonadiabatic frequencies of a number of conventional (hcp Ti and Mg) and layered metals (MgB2, CaC6, and other intercalated graphites). Nonadiabatic effects can be spectacularly large (up to 30% of the phonon frequencies) in both cases, but they can only be experimentally observed in the Raman spectra of layered compounds. In layered metals nonadiabatic effects are crucial to explaining the observed Raman shifts and linewidths. Moreover, we show that those quantities can be used to extract the electron momentum-relaxation time.

Citations

• Intercalation compounds of graphite

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