• Matter and Radiation at Extremes
  • Vol. 6, Issue 3, 038403 (2021)
Leilei Zhang, Hua Y. Genga), and Q. Wu
Author Affiliations
  • National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, P.O. Box 919-102, Mianyang, Sichuan 621900, People’s Republic of China
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    DOI: 10.1063/5.0043276 Cite this Article
    Leilei Zhang, Hua Y. Geng, Q. Wu. Prediction of anomalous LA-TA splitting in electrides[J]. Matter and Radiation at Extremes, 2021, 6(3): 038403 Copy Citation Text show less

    Abstract

    Electrides are an emerging class of materials with excess electrons localized in interstices and acting as anionic interstitial quasi-atoms (ISQs). The spatial ion–electron separation means that electrides can be treated physically as ionic crystals, and this unusual behavior leads to extraordinary physical and chemical phenomena. Here, a completely different effect in electrides is predicted. By recognizing the long-range Coulomb interactions between matrix atoms and ISQs that are unique in electrides, a nonanalytic correction to the forces exerted on the matrix atoms is proposed. This correction gives rise to a longitudinal acoustic-transverse acoustic splitting in the acoustic branch of lattice phonons near the zone center, similar to the well-known longitudinal optical–transverse optical splitting in the phonon spectra of ionic compounds. The factors that govern this splitting are investigated, with isotropic fcc-Li and anisotropic hP4-Na as the typical examples. It is found that not all electrides can induce a detectable splitting, and criteria are given for this type of splitting. The present prediction unveils the rich phenomena in electrides and could lead to unprecedented applications.
    Dsα,tβ(q)=1MsMtlΦlsα,0tβexp[iq(R0+τtRlτs)],

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    Dsα,tβna(q0)=1MsMt4πe2Ω(qZs*)α(qZt*)βqεq,

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    Dsα,(ISQ)βna(q0)=1MsMISQ4πe2Ω(qZs*)α(qZISQ*)βqεq

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    D(ISQ)α,(ISQ)βna(q0)=1M(ISQ)M(ISQ)4πe2Ω(qZ(ISQ)*)α(qZ(ISQ)*)βqεq.

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    Leilei Zhang, Hua Y. Geng, Q. Wu. Prediction of anomalous LA-TA splitting in electrides[J]. Matter and Radiation at Extremes, 2021, 6(3): 038403
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