Yakovkin, I. N.Petrova, N., V
5页查看更多>>摘要：Relativistic DFT calculations, performed for Sb layers adsorbed on the Mo (112) surface, have revealed a strong interaction of Sb adatoms with the surface. At low coverages, the layer is predicted to form a c (2 x 2) structure, while for a complete Sb monolayer the most favorable structure is the p (1 x 1), which forms despite a minor one-dimensional compressing of the layer in the direction along the Mo (112) surface furrows. This structure is favorable also for complete bilayer and 3-layer films, so that very thin Sb layers reproduce the furrowed structure of the Mo (112) surface. The adsorbed Sb layers cause a significant redistribution of the densities of states, which, however, does not increase enough at the Fermi level to produce any substantial metallization of the film. The spin-orbit coupling causes only minor changes in the band structure, while Sb layer on one face of the Mo (112) slab destroys the inversion symmetry of the adsorption system thus leading to the appearance of the Rashba-type splitting of the bands.
原文链接:
NSTL
Elsevier
Tu, LingxiaWen, ZhiweiCui, YajingZhao, Yong...
6页查看更多>>摘要：The discovery of superconductivity in the nickelate has attracted intensive attention recently. Here, Pr1-xSrxNiO3 (x = 0-0.2) films on SrTiO3 was firstly synthesized by polymer-assisted chemical solution deposition. The structure characterization showed that the film has good c-axis orientation and smooth surface without obvious cracks. With increasing Sr doping content, the out-of-plane lattice constant c gradually increased. The metal-insulator transition of parent phase was suppressed by Sr doping and the metallic behavior for doped films was observed in the whole measured temperature range. Infinite-layer Pr1-xSrxNiO3 films were subsequently obtained via topological reduction by CaH2. However, the out-of-plane lattice constants c was obviously smaller than that of the superconducting Pr1-xSrxNiO3 thin films. The insulating behavior for all of films was consequently observed instead of superconductivity. These results indicated that the high crystallinity and subtle structure regularization may be very important for infinite-layer nickelate to accomplish superconductivity.
原文链接:- NSTL
- Elsevier
