Antiperovskite superconductor LaPdP with noncentrosymmetric cubic structure
arXiv:2111.10045 · doi:10.1021/acs.inorgchem.1c02604
Abstract
Antiperovskites are a promising candidate structure for the exploration of new materials. We discovered an antiperovskite phosphide, LaPdP, following our recent synthesis of PdP ( = Ca, Sr, Ba). While PdP and (Ca,Sr)PdP were found to be tetragonal or orthorhombic systems, LaPdP is a new prototype cubic system ( = 9.0317(1) A) with a noncentrosymmetric space group (). LaPdP exhibited superconductivity with a transition temperature () of 0.28 K. The upper critical field, Debye temperature, and Sommerfeld constant () were determined as 0.305(8) kOe, 267(1) K, 6.06(4) mJ mol-1 K-2 f.u.-1, respectively. We performed first-principles electronic band structure calculations for LaPdP and compared the theoretical and experimental results. The calculated Sommerfeld constant (2.24 mJ mol-1 K-2 f.u.-1) was much smaller than the experimental value of because the Fermi energy () was located slightly below the density of states (DOS) pseudogap. This difference was explained by the increase in the DOS at due to the approximately 5 at.% La deficiency (hole doping) in the sample. The observed Tc value was much lower than that estimated using the Bardeen-Cooper-Schrieffer equation. To explain the discrepancy, we examined the possibility of an unconventional superconductivity in LaPdP arising from the lack of space inversion symmetry.
arXiv comment13 pages, 5 figures, 4 tables
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