Adsorption, Segregation and Magnetization of a Single Mn Adatom on the GaAs (110) Surface

Density functional calculations with a large unit cell have been conducted to investigate adsorption, segregation and magnetization of Mn monomer on GaAs(110). The Mn adatom is rather mobile along the trench on GaAs(110), with an energy barrier of 0.56 eV. The energy barrier for segregation across the trenches is nevertheless very high, 1.67 eV. The plots of density of states display a wide gap in the majority spin channel, but show plenty of metal-induced gap states in the minority spin channel. The Mn atoms might be invisibl in scanning tunneling microscope (STM) images taken with small biases, due to the directional p-d hybridization. For example, one will more likely see two bright spots on Mn/GaAs(110), despite the fact that there is only one Mn adatom in the system

Superconductivity and Phase Diagram in (Li0.8_{0.8}Fe0.2_{0.2})OHFeSe1−x_{1-x}Sx_x

A series of (Li$_{0.8}$Fe$_{0.2}$)OHFeSe$_{1-x}$S$_x$ (0 $\leq$ x $\leq$ 1) samples were successfully synthesized via hydrothermal reaction method and the phase diagram is established. Magnetic susceptibility suggests that an antiferromagnetism arising from (Li$_{0.8}$Fe$_{0.2}$)OH layers coexists with superconductivity, and the antiferromagnetic transition temperature nearly remains constant for various S doping levels. In addition, the lattice parameters of the both a and c axes decrease and the superconducting transition temperature T$_c$ is gradually suppressed with the substitution of S for Se, and eventually superconductivity vanishes at $x$ = 0.90. The decrease of T$_c$ could be attributed to the effect of chemical pressure induced by the smaller ionic size of S relative to that of Se, being consistent with the effect of hydrostatic pressure on (Li$_{0.8}$Fe$_{0.2}$)OHFeSe. But the detailed investigation on the relationships between $T_{\rm c}$ and the crystallographic facts suggests a very different dependence of $T_{\rm c}$ on anion height from the Fe2 layer or $Ch$-Fe2-$Ch$ angle from those in FeAs-based superconductors.Comment: 6 pages, 6 figure