Giant two-phonon Raman scattering from nanoscale NbC precipitates in Nb

TL;DR

This study reveals nanoscale NbC precipitates in niobium that significantly enhance two-phonon Raman scattering, linked to electron-phonon interactions and strain effects at interfaces, with implications for superconducting properties.

Contribution

It provides the first detailed analysis of two-phonon Raman enhancement in NbC precipitates within niobium using DFT and experimental spectroscopy, highlighting interface effects and electron-phonon coupling.

Findings

Nanoscale NbC precipitates are present in processed niobium surfaces.

Enhanced two-phonon Raman signals are observed, exceeding bulk NbC.

Strain and interface effects influence phonon modes and electron-phonon interactions.

Abstract

High purity niobium (Nb), subjected to the processing methods used in the fabrication of superconducting RF cavities, displays micron-sized surface patches containing excess carbon. High-resolution transmission electron microscopy and electron energy-loss spectroscopy measurements are presented which reveal the presence of nanoscale NbC coherent precipitates in such regions. Raman backscatter spectroscopy on similar surface regions exhibit spectra consistent with the literature results on bulk NbC but with significantly enhanced two-phonon scattering. The unprecedented strength and sharpness of the two-phonon signal has prompted a theoretical analysis, using density functional theory (DFT), of phonon modes in NbC for two different interface models of the coherent precipitate. One model leads to overall compressive strain and a comparison to ab-initio calculations of phonon dispersion curves under uniform compression of the NbC shows that the measured two-phonon peaks are linked directly to phonon anomalies arising from strong electron-phonon interaction. Another model of the extended interface between Nb and NbC, studied by DFT, gives insight into the frequency shifts of the acoustic and optical mode density of states measured by first order Raman. The exact origin of the stronger two-phonon response is not known at present but it suggests the possibility of enhanced electron-phonon coupling in transition metal carbides under strain found either in the bulk NbC inclusions or at their interfaces with Nb metal. Preliminary tunneling studies using a point contact method show some energy gaps larger than expected for bulk NbC.