Electronic and magnetic structures of CeTe2

Abstract

We have investigated electronic structures of CeTe2 to explore the correlation between the magnetic, charge density wave, and superconducting phases by using the local spin density approximation (LSDA) and LSDA+U (U=on-site Coulomb interaction) methods. We have found that the contribution near E-F from Ce 4f states is negligible, suggesting that Ce 4f electrons are not the superconducting carriers. The total energy calculation indicates that the ABBA-type antiferromagnetic configuration is the most stable, while the stability is weakened by pressure. We have discussed the possible superconducting mechanism in the magnetic phase of CeTe1.82. (c) 2005 American Institute of Physics.