Puzzling phonon dispersion curves and vibrational mode instability in superconducting MgCNi3
A first principles calculation of the lattice dynamical properties of superconducting MgCNi3 has been performed using density functional perturbation theory (DFPT). The calculated phonon dispersion curves and phonon density of states have been compared with inelastic x-ray scattering (IXS) and inel...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2012-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4714366 |