First-principles calculations of pressure effects on the superconducting CaAlSi and SrAlSi
G. Q. Huang, L. F. Chen, M. Liu, D. Y. Xing
DOI 10.1103/PhysRevB.71.172506 · Physical Review B
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Abstract
The pressure effects on superconducting transition temperature Tc in CaAlSi and SrAlSi are studied by calculating the electronic structure, phonon spectra and the electron-phonon (EP) interaction at different volumes using the full-potential, density-functional-based method. Our calculations show that the opposite signs of pressure coefficients of Tc in CaAlSi and SrAlSi are not caused by their electronic structures, but by different pressure behaviors of the ultrasoft phonon mode. The phonon frequencies and EP coupling strengths for all phonon modes, except the ultrasoft mode, have similar pressure dependence in the two compounds.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CaAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7.8 | Pressure unresolved | unknown |
| CaAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.4 | 4.2 GPa | unknown |
| SrAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.7 | Pressure unresolved | unknown |
| SrAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.1 | 3.99 GPa | unknown |
| CaAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7.8 | Pressure not reported | unknown |
| SrAlSi Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.1 | Pressure not reported | unknown |
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