| Issue |
Europhys. Lett.
Volume 63, Number 5, September 2003
|
|
|---|---|---|
| Page(s) | 743 - 749 | |
| Section | Condensed matter: electronic structure, electrical, magnetic, and optical properties | |
| DOI | https://doi.org/10.1209/epl/i2003-00592-1 | |
| Published online | 01 November 2003 | |
Possible high-temperature superconductivity
in hole-doped 
1
High Pressure Physics Division, Bhabha Atomic Research Centre Mumbai 400085, India
2
Tata Institute of Fundamental Research - Homi Bhabha Road Mumbai 400005, India
Received:
1
November
2002
Accepted:
27
June
2003
We report first-principles full potential linearised augmented
plane wave calculations of the electronic band structure of the
compound and its hole-doped derivatives
, 
,
and 
.
The parent compound is a band insulator, which
on hole doping, is predicted to turn metallic with a large
density of states at the Fermi energy. Its band dispersion shows
a flat band feature close to the Fermi energy, reminiscent of
. Based on our estimates of changes in the density of
states at the Fermi level, we predict that hole-doped
is a potential candidate for high-temperature
superconductivity.
PACS: 74.25.Jb – Electronic structure / 74.25.Kc – Phonons / 74.70.Ad – Metals; alloys and binary compounds (including A15, 
, etc.)
© EDP Sciences, 2003
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