Abstract
To explore the origin of the suppression of the charge density wave (CDW) in square sheet of (: rare-earth elements), we have investigated the band structures and phonon dispersions of and . We have found that the large spin-orbit coupling of Bi atoms together with the chemical pressure effect reduces the Fermi surface nesting, which results in the suppression of the CDW instability in . The pressure effect has been checked for a similar compound, , which shows a series of structural distortions in the Sb layer under volume contraction, from herringbone type, to 1D-ladder type, and to square sheet. Furthermore, we show that the observed local disorder in the Bi square sheet of can be explained by the phonon softening anomaly, which is also expected to describe the anomalous resistivity upturn observed in upon cooling.
- Received 13 November 2015
- Revised 9 February 2016
DOI:https://doi.org/10.1103/PhysRevB.93.125116
©2016 American Physical Society