Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and ...Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and nonlinear optical characteristics were investigated by Hall tester,Ultraviolet(UV)-visible spectrophotometer and optical characterization method.The results indicate that RF power significantly influences the electrical and optical properties of the deposited films.As RF power raises,the resistivity and Urbach energy fall initially and then rise,while the figure of merit,mean visible transmittance and optical bandgap show the reverse variation trend.At RF power of 190 W,the TGZO sample exhibits the highest electro-optical properties,with the maximum figure of merit(1.14×10^(4)Ω^(-1)∙cm^(-1)),mean visible transmittance(86.9%)and optical bandgap(3.50 eV),the minimum resistivity(6.26×10^(-4)Ω∙cm)and Urbach energy(174.23 meV).In addition,the optical constants of the deposited films were determined by the optical spectrum fitting method,and the RF power dependence of nonlinear optical properties was studied.It is observed that all the thin films exhibit normal dispersion characteristics in the visible region,and the nonlinear optical parameters are greatly affected by the RF power in the ultraviolet region.展开更多
The polarizabilities and hyperpolarizabilities of the tetrahydropyrrole diradical in different electronic states have been investigated using ab initio and density functional theory （DFT） methods combined with the f...The polarizabilities and hyperpolarizabilities of the tetrahydropyrrole diradical in different electronic states have been investigated using ab initio and density functional theory （DFT） methods combined with the finite field （FF） approach. The polarizability average value as is a maximum for the singlet state, while that for the closed-shell is a minimum. The trend in second hyperpolarizability average value yis in good agreement with that for as The yvalues of the singlet and triplet states are, respectively, about 3 and 2 times larger than that of the closed-shell. The order of the first hyperpolarizability total effective value βtot is βot （closed shell） βtot （singlet） 〉 βtot （triplet）. The as, βtot, and 7 values of different electronic states obtained using the B3LYP and MP4SDQ methods are close to those obtained using the reliable CCSD method. The nonlinear optical （NLO） properties of two systems isoelectronic with the tetrahydropyrrole diradical-cyclopentane and tetrahydrofuran diradicalsshow that the polarizabilities and hyperpolarizabilities of these systems are all smaller than those of the tetrahydropyrrole diradical in the three electronic states.展开更多
文摘Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and nonlinear optical characteristics were investigated by Hall tester,Ultraviolet(UV)-visible spectrophotometer and optical characterization method.The results indicate that RF power significantly influences the electrical and optical properties of the deposited films.As RF power raises,the resistivity and Urbach energy fall initially and then rise,while the figure of merit,mean visible transmittance and optical bandgap show the reverse variation trend.At RF power of 190 W,the TGZO sample exhibits the highest electro-optical properties,with the maximum figure of merit(1.14×10^(4)Ω^(-1)∙cm^(-1)),mean visible transmittance(86.9%)and optical bandgap(3.50 eV),the minimum resistivity(6.26×10^(-4)Ω∙cm)and Urbach energy(174.23 meV).In addition,the optical constants of the deposited films were determined by the optical spectrum fitting method,and the RF power dependence of nonlinear optical properties was studied.It is observed that all the thin films exhibit normal dispersion characteristics in the visible region,and the nonlinear optical parameters are greatly affected by the RF power in the ultraviolet region.
基金supported by the National Natural Science Foundation of China (20873017)the Program for Changjiang Scholars and Innovative Research Teams in University (IRT0714)
文摘The polarizabilities and hyperpolarizabilities of the tetrahydropyrrole diradical in different electronic states have been investigated using ab initio and density functional theory （DFT） methods combined with the finite field （FF） approach. The polarizability average value as is a maximum for the singlet state, while that for the closed-shell is a minimum. The trend in second hyperpolarizability average value yis in good agreement with that for as The yvalues of the singlet and triplet states are, respectively, about 3 and 2 times larger than that of the closed-shell. The order of the first hyperpolarizability total effective value βtot is βot （closed shell） βtot （singlet） 〉 βtot （triplet）. The as, βtot, and 7 values of different electronic states obtained using the B3LYP and MP4SDQ methods are close to those obtained using the reliable CCSD method. The nonlinear optical （NLO） properties of two systems isoelectronic with the tetrahydropyrrole diradical-cyclopentane and tetrahydrofuran diradicalsshow that the polarizabilities and hyperpolarizabilities of these systems are all smaller than those of the tetrahydropyrrole diradical in the three electronic states.
