Publication Date

3-8-2021

Department

Ames Laboratory; Physics and Astronomy

Campus Units

Ames Laboratory, Physics and Astronomy

OSTI ID+

1775104

Report Number

IS-J 10440

DOI

10.1016/j.physb.2020.412795

Journal Title

Physica B: Condensed Matter

Volume Number

611

First Page

412795

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.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Tuesday, March 08, 2022

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