New Insights on the Electronic-Structural Interplay in LaPdSb and CePdSb Intermetallic Compounds.

Total energy calculations are consistent with the experimental results and imply the stability of the puckering model; (II) a strong correspondence exists between the puckering and the Pd bands character around the M point for the LaPdSb compound; (III) there is also a correspondence between a decreasing trend of the Pd band character and lowering the total energy, thus demonstrating that the energetically more stable structure has less Pd band contribution around the M point; (IV) a second correspondence exists between the structural puckering and the electronic band structure/pockets around the Fermi energy.

also in 47,180 other papers