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Superconductivity in alkaline earth metal doped boron hydrides

Authors :
Xu-Yan Xue
Wei Qin
Kai-Ming Ho
Shan-Dong Li
Cai-Zhuang Wang
Wen-Hua Yang
Wen-Cai Lu
Source :
Physica B: Condensed Matter. 611:412795
Publication Year :
2021
Publisher :
Elsevier BV, 2021.

Abstract

Effects of alkaline earth metal atoms doping in boron hydrides at high pressure are investigated by first-principles calculations. The calculated results showed that doping with Mg, Ca, Ba, and Sr in B8H16 at 50 GPa is thermodynamically favorable and dynamically stable. The doping changes the B8H16 from a semiconductor to a metal with substantial electronic density-of-state around the Fermi level. The superconductivity of the alkaline earth metal doped B8H16 is studied based on electron-phonon coupling mechanism. The calculated critical superconducting transition temperatures (Tc) range from 10 to 25 K at 50 GPa upon doping. These results suggest that doping metal atoms in boron hydrides is an efficient way in designing superconducting materials.

Details

ISSN :
09214526
Volume :
611
Database :
OpenAIRE
Journal :
Physica B: Condensed Matter
Accession number :
edsair.doi...........13cd88a6bc81b306c2c24b9c7098c363