Journal
PHYSICAL REVIEW B
Volume 84, Issue 17, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.172101
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We perform a global search for possible structures of bulk lithium, where we employ simulated annealing with ab initio energies in all steps. We find the A15 structure as a different promising local minimum at ambient pressure. Its energy is competitive with the already known structures, thus making it an interesting target for synthesis.
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