Geometrical and crystal structures, optical absorption and device characterization of N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide

The molecular structure of the N-(5-{[antipyrinyl-hydrazono]-cyanomethyl}-[1,3,4]thiadiazol-2-yl)-benzamide (ACTB) is optimized theoretically in which the energies of highest occupied molecular orbital and lowest unoccupied molecular orbital are calculated. ACTB crystalizes in triclinic structure with a space group, P2. ACTB thin films were prepared by using thermal evaporation technique onto quartz and n-Si single crystal substrates. The optical properties of the films are investigated in terms of the spectrophotometric measurements of the transmittance and reflectance. The current-voltage (I-V) characteristics of the fabricated In/ACTB/n-Si/Au diode are studied in temperature range 298-398 K. The device showed rectification behavior. At low forward voltage, the thermionic theory is applied for determining the ideality factor and barrier height as a function of temperature. The series resistance of the device is found to decrease with increasing temperature. At relatively high forward voltage, the space charge limited current dominated by exponential distribution of traps is found to be the operating mechanism in which the trapping parameters and charge carriers mobility are estimated.