Gap States of ZnO Thin Films by New Methods:Optical Spectroscopy,Optical Conductivity and Optical Dispersion Energy

The optical reflectance and transmittance spectra in the wavelength range of 300-2500 nm are used to compute the absorption coefficient of zinc oxide films annealed at different post-annealing temperatures 400, 500 and 600°C.The values of the cross point between the curves of the real and imaginary parts of the optical conductivity ɑ_1 and ɑ_1 with energy axis of films exhibit values that correspond to optical gaps and are about 3.25-3.3 eV. The maxima of peaks in plots dR/dλ and dT/dλ versus wavelength of films exhibit optical gaps at about 3.12-3.25 eV.The values of the fundamental indirect band gap obtained from the Tauc model are at about 3.14-3.2 eV. It can be seen that films annealed at 600°C have the minimum indirect optical band gap at about 3.15 eV. The films annealed at 600°C have Urbach＇s energy minimum of 1.38 eV and hence have minimum disorder. The dispersion energy d of films annealed at 500°C has the minimum value of 43 eV.

Effect of Nickel Distributions Embedded in Amorphous Carbon Films on Transport Properties

Electrical properties of C/Ni films are studied using four mosaic targets made of pure graphite and stripes of nickel with the surface areas of 1.78,3.21,3.92 and 4.64%.The conductivity data in the temperature range of400-500 K shows the extended state conduction.The conductivity data in the temperature range of 150-300 K shows the multi-phonon hopping conduction.The Berthelot-type conduction dominates in the temperature range of 50-150 K.The conductivity of the films in the temperature range about 〈 50 K is described in terms of variable-range hopping conduction.In low temperatures,the localized density of state around Fermi level（F）for the film deposition with 3.92% nickel has a maximum value of about 56.2×10^（17）cm^（-3）eV^（-1） with the minimum average hopping distance of about 3.43 × 10^（-6） cm.

Calculation of Half-Metal, Debye and Curie Temperatures of Co_2 VAl Compound: First Principles Study

By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co2 VAl are investigated. The results indicate that Ferromagnetic(FM) phase is more stable than AntiFerromagnetic(AFM) and Non-magnetic(NM) ones. In addition, C11–C12> 0, C44> 0, and B > 0 so Co2 VAl is an elastically stable material with high Debye temperature. Also, the B/G ratio exhibits a ductility behavior. The relatively high Curie temperature provides it as a favorable material for spintronic application. It's electronic and magnetic properties are studied by GGA+U approach leading to a 100% spin polarization at Fermi level.

Elastic and optical properties of zinc-blende CrSb and its effective mass

The elastic, optical, and effective mass properties of CrSb in zinc-blende（ZB） phase were investigated.The calculations were carried out using the full-potential linearized augmented plane wave plus local orbital according to the density functional theory. The results of elastic calculations by generalized gradient approximation and local density approximation approximations indicate that ZB CrSb is a ductile material and its Debye temperature is rather low. Band structure and density of state calculations introduce the ZB CrSb as a half-metal with spin polarization of100 %. In metal state, 16 th and 17 th bands cut off the Fermi level. Calculations study the effective mass, Fermi velocity,and Fermi surface at 16 th and 17 th bands. In continue,optical quantities such as dielectric function, energy loss function, and optical conductivity were investigated.