Rational material design of mixed-valent high-Tc superconductors
Department of Physics and Astronomy, Rutgers University - Piscataway, NJ 08854, USA
Received: 21 December 2012
Accepted: 5 January 2013
We design, from first-principles calculations, a novel family of thallium halide-based compounds as candidates for new high-temperature superconductors, whose superconductivity is mediated by the recently proposed mechanism of non-local correlation-enhanced strong electron-phonon coupling. Two prototype compounds namely CsTlF3 and CsTlCl3 are studied with various hole doping levels and volumes. The critical superconducting temperatures (Tc's) are predicted to be about 30 K and 20 K with ∼0.35/f.u. hole doping and require only modest pressures (∼10 and ∼2 GPa), respectively. Our procedure of designing this class of superconductors is quite general and can be used to search for other “other high-temperature superconductors”.
PACS: 74.70.−b – / 74.20.Pq – / 74.25.Kc –
© EPLA, 2013