We report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9) Å and c = 4.1026(9) Å, while SrPd1-xP1+x forms a centrosymmetric hexagonal structure with the space group P63/mmc (No. 194) and lattice parameters a = b = 4.102(2) Å and c = 8.713(4) Å. In both compounds, Pd and P atoms mix in the honeycomb layer with a higher amount of P. The electronic structure calculations show that the mixture of Pd and P atoms in the honeycomb network is critical to stabilize the crystal structures. AePd1-xP1+x (Ae = Ca, Sr) are diamagnetic metals confirmed by the magnetic susceptibility, electrical resistivity and specific heat.
Authors
- Joanna Blawat,
- Zuzanna Ryżyńska link open in new tab ,
- prof. dr hab. inż. Tomasz Klimczuk link open in new tab ,
- Weiwei Xie,
- Jin Rongying
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1016/j.mtcomm.2020.101284
- Category
- Publikacja w czasopiśmie
- Type
- artykuły w czasopismach
- Language
- angielski
- Publication year
- 2020
