We report the results of calculations which were performed to investigate equilibrium structures, electronic and magnetic properties of small NinB clusters with n=1–8,12 within the framework of density functional theory. The calculated results find that doping of boron enhances the binding energy but reduces the magnetic moments of Ni clusters. The boron prefers to maximize the number of Ni–B b...

Using the coherent-potential approximation, we have studied the effects of excess Fe, Se deficiency and substitutions of S and Te on the Se sub-lattice and Co, Ni and Cu on the Fe sub-lattice in FeSe. Our results show that (i) a small amount of excess Fe substantially disorders the Fe-derived bands while an Se deficiency affects mainly the Se-derived bands, (ii) the substitution of S or Te enha...

We report electronic Raman scattering from Ni-substituted YBa2Cu3O6.95 single crystals with T(c) ranging from 92.5 to 78 K. The fully symmetrical A(1g) channel and the B(1g) channel which is sensitive to the d(x(2)-y(2)) gap maximum have been explored. The energy of the B(1g) pair-breaking peak remains constant under Ni doping while the energy of the A(1g) peak scales with T(c) ( E(A(1g))/k(B)T...

The effectiveness of a novel nickel-antimony doped tin oxide electrode for electrochemical degradation of organic pollutants was investigated using 4-chlorophenol (4-CP) as a model toxic organic. The experimental results demonstrate that the optimal Ni content was at Ni:Sn=1:500 in atomic ratio in the precursor coating solution, whereas the Sb:Sn ratio was set at 8:500. Using the electrode prep...

The room-temperature photoluminescence of Cd1−xMxS (M=Ni, Fe) nanoparticles were investigated. Compared with the photoluminescence of CdS which peaks at 475 nm, the photoemission of CdS:Fe nanoparticles was peaking at 537 nm because of Fe acting as luminescent centers. On the other hand, the green emission (503 nm) of CdS:Ni attributed to the T2g(D)→ A2g(F) raditive transition. With the increas...

Transition metal (TM)-doped TiO2 films (TM = Co, Ni, and Fe) were deposited on Si(100) substrates by a sol-gel method. With the same dopant content, Co dopants catalyze the anatase-to-rutile transformation (ART) more obviously than Ni and Fe doping. This is attributed to the different strain energy induced by the different dopants. The optical properties of TM-doped TiO2 films were studied with...

We argue that the scanning tunneling microscope (STM) images of resonant states generated by doping Zn or Ni impurities into Cu-O planes of BSCCO are the result of quantum interference of the impurity signal coming from several distinct paths. The impurity image seen on the surface is greatly affected by interlayer tunneling matrix elements. We find that the optimal tunneling path between the S...

BaFe2As2 with transition-metal doping exhibits a variety of rich phenomena from the coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FSs), formation energies (ΔEf), and densities of states (DOSs) of electron-doped Ba(Fe1−xMx)2As2 with M={Co,Ni,Cu,Zn} in tetragonal (I4/mmm) and orthorhombic (Fmmm) structures i...