Structural and vibrational properties of lithium under ambient conditions within density functional theory
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DOI: 10.1103/physrevb.99.014111
Abstract: We apply a general first-principles approach to derive the phase diagram of metallic Lithium at ambient pressure between 0 and 350 K, including identification of candidate phases. We use ab initio random structure searching (AIRSS)… read more here.
Keywords: ambient conditions; structural vibrational; vibrational properties; lithium ambient ... See more keywords