Anharmonic lattice dynamics and superconductivity in strained bulk and surface niobium
Summary
arXiv:2606.02730v1 Announce Type: cross Abstract: Using first-principles calculations, we investigate how homogeneous strain and crystallographic surface orientation modify the vibrational and superconducting properties of niobium. For bulk Nb, tensile strain strongly softens the phonon spectrum and enhances the electron--phonon coupling, increasing the superconducting transition temperature from 9.5 K at equilibrium to 14.5 K at $\sim\!6\%$ lattice expansion. For the low-index Nb(001), Nb(110), and Nb(111) surfaces, harmonic phonon calculations exhibit imaginary modes, showing that anharmonic lattice effects are essential.
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Key Facts
- SectorQuantum
- Market—
- ImpactMedium (50/100)
- SignalFunding Research