High-Throughput Screening for Boride Superconductors
Shiya Chen,
Zepeng Wu,
Zhen Zhang
et al.
Abstract:A high-throughput
screening using density functional calculations
is performed to search for stable boride superconductors from the
existing materials database. The workflow employs the fast frozen-phonon
method as the descriptor to evaluate the superconducting properties
quickly. Twenty-three stable candidates were identified during the
screening. The superconductivity was obtained earlier experimentally
or computationally for almost all found binary compounds. Previous
studies on ternary borides are very lim… Show more
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