Possibility of superconductivity in high pressure phases of BC$_3$
ORAL
Abstract
Using an ab-initio pseudopotential-local-density-approximation, we study the possibility of a high-pressure transition of graphitic planar sp$^2$ bonded BC$_3$ into an sp$^3$ bonded covalent network. Energy barriers are examined for the predicted transition to the sp$^3$ phase and for the observed onset of phase separation in BC$_3$ under high pressure, high temperature conditions [V. L. Solozhenko \textit{et al.}, Appl. Phys. Lett. \textbf{85}, 1508 (2004)]. The sp$^3$ phase of BC$_3 $ is predicted to be metallic and superconducting and is similar to 25\% boron-doped diamond without boron clusters. Calculations of phonon frequencies and electron-phonon coupling allow for an estimate of the superconducting transition temperature.
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Authors
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Jonathan E. Moussa
UC Berkeley \& LBNL
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Marvin Cohen
Dept of Physics UC Berkeley, Mat Sci Div LBNL, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, UC Berkeley, Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC Berkeley \& LBNL, UC Berkeley and Lawrence Berkeley National Laboratory