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A facile approach to calculating superconducting transition temperatures in the bismuth solid phases
Isaías Rodríguez1, David Hinojosa-Romero2, Alexander Valladares1
1Facultad de Ciencias, Universidad Nacional Autónoma de México, Apartado Postal 70-542, Ciudad Universitaria, México City, CDMX, 04510, Mexico.
Scientific Reports
|March 29, 2019
Summary
Bismuth (Bi) phases exhibit superconductivity under pressure. This study calculates electronic and vibrational properties to predict critical temperatures (Tc) for Bi phases, closely matching experimental superconducting transition temperatures.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Mechanics
Background:
- Bismuth (Bi) exhibits superconductivity in multiple solid phases under pressure.
- Experimental evidence suggests most Bi phases (Bi-I to Bi-V) are superconductors, with Bi-IV's status uncertain.
Purpose of the Study:
- To investigate the influence of electronic density of states at the Fermi level (N(E)) and lattice vibrational frequencies (F(ω)) on bismuth superconductivity.
- To theoretically determine the critical temperatures (Tc) for various bismuth phases using ab initio calculations and a BCS approach.
Main Methods:
- Ab initio calculations of electronic and vibrational properties for experimental bismuth crystalline structures.
- Application of the Bardeen-Cooper-Schrieffer (BCS) theory to predict superconducting critical temperatures (Tc).
Main Results:
- Calculated Tc values closely align with experimental measurements for Bi-I, Bi-II, Bi-III, and Bi-V.
- Predicted a critical temperature of 4.25 K for Bi-IV, a phase not yet experimentally confirmed as superconducting.
- Calculated Tc for Bi-I was <1.3 mK, aligning with a later experimental measurement of 0.5 mK.
Conclusions:
- The study successfully correlates electronic and vibrational properties with superconductivity in bismuth phases.
- Theoretical predictions of critical temperatures demonstrate good agreement with experimental findings, validating the computational approach.
- The findings provide insights into the factors governing superconductivity in high-pressure bismuth phases.
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