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Possible superconductivity in hole-doped BC3

Journal Article · · Physical Review B

In this work, the superconducting transition temperature of hole-doped BC3 was studies. The total energy, phonon frequencies, and electron-phonon couplings were calculated for different hole doping levels using the ab initio pseudopotential method within the local density approximation. The harmonic and anharmonic phonon frequencies were calculated by using the frozen-phonon approximation. As in MgB2, the electron-phonon coupling between the electronic states in the sigma bands and phonon modes associated with bond stretching was found to be very strong. The calculation predicts that the superconducting temperature will increase as a function of doping level.

Research Organization:
Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA (US)
Sponsoring Organization:
USDOE Director, Office of Science. Office of Basic EnergySciences; National Science Foundation
DOE Contract Number:
AC02-05CH11231
OSTI ID:
889316
Report Number(s):
LBNL--59677
Journal Information:
Physical Review B, Journal Name: Physical Review B Vol. 69
Country of Publication:
United States
Language:
English