Literature DB >> 20867123

Sodium: a charge-transfer insulator at high pressures.

Matteo Gatti1, Ilya V Tokatly, Angel Rubio.   

Abstract

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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Year:  2010        PMID: 20867123     DOI: 10.1103/PhysRevLett.104.216404

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  4 in total

1.  Optical properties of dense lithium in electride phases by first-principles calculations.

Authors:  Zheng Yu; Hua Y Geng; Y Sun; Y Chen
Journal:  Sci Rep       Date:  2018-03-01       Impact factor: 4.379

2.  Electronic, Dielectric, and Plasmonic Properties of Two-Dimensional Electride Materials X2N (X=Ca, Sr): A First-Principles Study.

Authors:  Shan Guan; Shengyuan A Yang; Liyan Zhu; Junping Hu; Yugui Yao
Journal:  Sci Rep       Date:  2015-07-20       Impact factor: 4.379

3.  Structural complexity in ramp-compressed sodium to 480 GPa.

Authors:  Danae N Polsin; Amy Lazicki; Xuchen Gong; Stephen J Burns; Federica Coppari; Linda E Hansen; Brian J Henderson; Margaret F Huff; Malcolm I McMahon; Marius Millot; Reetam Paul; Raymond F Smith; Jon H Eggert; Gilbert W Collins; J Ryan Rygg
Journal:  Nat Commun       Date:  2022-05-09       Impact factor: 14.919

4.  Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms.

Authors:  J Eeckhoudt; T Bettens; P Geerlings; R Cammi; B Chen; M Alonso; F De Proft
Journal:  Chem Sci       Date:  2022-07-15       Impact factor: 9.969

  4 in total

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