4.8 Article

Sodium: A Charge-Transfer Insulator at High Pressures

期刊

PHYSICAL REVIEW LETTERS
卷 104, 期 21, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.216404

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  1. Spanish MEC [FIS2007-65702-C02-01]
  2. Grupos Consolidados UPV/EHU del Gobierno Vasco [IT-319-07]
  3. European Union [211956]
  4. Barcelona Supercomputing Center

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By first-principles methods we analyze the optical response of transparent dense sodium as a function of applied pressure. We discover an unusual kind of charge-transfer exciton that proceeds from the interstitial distribution of valence electrons. The absorption spectrum is strongly anisotropic, which, just at pressures above the metal-insulator transition, manifests as sodium being optically transparent in one direction but reflective in the other. This result provides key information about the crystal structure of transparent sodium, a new unconventional inorganic electride.

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