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• W2938006384 abstract "Na3Bi is a topological Dirac semimetal, which has a three-dimensional topological Dirac node at its Brillouin zone center. Here we performed a systematic study on its electronic, elastic and lattice dynamic properties by first principles calculation to enrich our knowledge on it. Studies confirmed the semimetallic nature of Na3Bi. Calculated elastic properties indicate that Na3Bi is mechanically stable but anistropic. Na3Bi is a brittle crystal. Shear deformation is easier to occur in its (00 ± 1)[0 ± 10] slip system. The infrared- and Raman-active modes at its Brillouin zone center were identified and detailedly discussed. All the computed vibrational frequencies of the phonons are positive, indicating the dynamical stability of Na3Bi. The Born effective charges and dielectric constants of Na3Bi were also calculated." @default.
• W2938006384 created "2019-04-25" @default.
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• W2938006384 date "2019-04-17" @default.
• W2938006384 modified "2023-09-27" @default.
• W2938006384 title "Electronic, elastic and lattice dynamic properties of the topological Dirac semimetal Na₃Bi" @default.
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• W2938006384 doi "https://doi.org/10.1088/2053-1591/ab172c" @default.
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