TY - JOUR
T1 - Electron localization and a confined electron gas in nanoporous inorganic electrides
AU - Sushko, Peter V.
AU - Shluger, Alexander L.
AU - Hayashi, Katsuro
AU - Hirano, Masahiro
AU - Hosono, Hideo
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 2003
Y1 - 2003
N2 - The nanoporous main group oxide [Formula presented] (C12A7) can be transformed from a wide-gap insulator to an electride where electrons substitute anions in cages constituting a positive frame. Our ab initio calculations of the electronic structure of this novel material give a consistent explanation of its high conductivity and optical properties. They show that the electrons confined in the inert positive frame are localized in cages and undergo hopping between neighboring cages. The results are useful for the understanding of behavior of confined electron gas of different topology and electron-phonon coupling, and for designing new transparent conductors, electron emitters, and electrides.
AB - The nanoporous main group oxide [Formula presented] (C12A7) can be transformed from a wide-gap insulator to an electride where electrons substitute anions in cages constituting a positive frame. Our ab initio calculations of the electronic structure of this novel material give a consistent explanation of its high conductivity and optical properties. They show that the electrons confined in the inert positive frame are localized in cages and undergo hopping between neighboring cages. The results are useful for the understanding of behavior of confined electron gas of different topology and electron-phonon coupling, and for designing new transparent conductors, electron emitters, and electrides.
UR - http://www.scopus.com/inward/record.url?scp=0142157625&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0142157625&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.91.126401
DO - 10.1103/PhysRevLett.91.126401
M3 - Article
C2 - 14525378
AN - SCOPUS:0142157625
VL - 91
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 12
ER -