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Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energy shifts of the NaK alloy clusters under different elemental compositions. Atomic arrangements that can be used to predict the structures of stable experimental NaK alloys were also obtained. Our study of these alloy nanoclusters has uncovered a trend correlating atomic position and composition with binding energy. We believe this data will help in the experimental preparation of alloy nanoclusters.
23Na NMR studies of the Na-K eutectic alloy embedded into porous glass with 7 nm pores showed that melting of Na2K confined nanoparticles is a continuous process with smooth changes in the Knight shift of a narrow resonance line and nuclear spin rela
Aiming at the future spintronics device applications of the spin-polarized surface states in three-dimensional topological insulator, a highly insulating bulk state and a tunable Dirac cone surface state are required. Here we employ a slab model havi
A set of thin film Mn$_x$Si$_{1-x}$ alloy samples with different manganese concentration x = 0.44 - 0.63 grown by the pulsed laser deposition (PLD) method onto the Al$_2$O$_3$(0001) substrate was investigated in the temperature range 4 - 300 K using
The effect of hydrostatic pressure and partial Na substitution on the normal-state properties and the superconducting transition temperature ($T_c$) of K$_{1-x}$Na$_x$Fe$_2$As$_2$ single crystals were investigated. It was found that a partial Na subs
The idea that surface effects may play an important role in suppressing $e_g$ Fermi surface pockets on Na$_x$CoO$_2$ $(0.333 le x le 0.75)$ has been frequently proposed to explain the discrepancy between LDA calculations (performed on the bulk compou