We investigate the binding energies of excitons in a strained （111）-oriented zinc-blende GaN/Al0.3 Ga0.7 N quantum well screened by the electron-hole （e-h） gas under hydrostatic pressure by combining a variational...We investigate the binding energies of excitons in a strained （111）-oriented zinc-blende GaN/Al0.3 Ga0.7 N quantum well screened by the electron-hole （e-h） gas under hydrostatic pressure by combining a variational method and a selfconsistent procedure. A built-in electric field produced by the strain-induced piezoelectric polarization is considered in our calculations. The result indicates that the binding energies of excitons increase nearly linearly with pressure,even though the modification of strain with hydrostatic pressure is considered, and the influence of pressure is more apparent under higher e-h densities. It is also found that as the density of an e-h gas increases,the binding energies first increase slowly to a maximum and then decrease rapidly when the e-h density is larger than about 1 ×10^11 cm^-2. The excitonic binding energies increase obviously as the barrier thickness decreases due to the decrease of the built-in electric field.展开更多
Uniform and well-dispersed Zn S nanospheres have been successfully synthesized via a facile chemical route. The crystal structure, morphology, surface area and photocatalytic properties of the sample were characterize...Uniform and well-dispersed Zn S nanospheres have been successfully synthesized via a facile chemical route. The crystal structure, morphology, surface area and photocatalytic properties of the sample were characterized by powder X-ray diffraction（XRD）, scanning electron microscopy（SEM）, Brunauer-Emmett-Teller（BET） and ultraviolet-visible（UV-vis） spectrum. The results of characterizations indicate that the products are identified as mesoporous zinc-blende ZnS nanospheres with an average diameter of 200 nm, which are comprised of nanoparticles with the crystallite size of about 3.2 nm calculated by XRD. Very importantly, photocatalytic degradation of methylene blue（MB） shows that the as-prepared Zn S nanospheres exhibit excellent photocatalytic activity with nearly 100% of MB decomposed after UV-light irradiation for 25 min. The excellent photocatalytic activity of ZnS nanospheres can be ascribed to the large specific surface area and hierarchical mesoporous structure.展开更多
The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX （X=S, Se, Te） are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculat...The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX （X=S, Se, Te） are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculated lattice constants and bulk modulus are compared with the pubfished experimental and theoretical data. In addition, the Born effective charges, electronic dielectric tensors, phonon frequencies, and longitudinal opticaltransverse optical splitting are calculated by the linear-response approach. Some of the characteristics of the phonon-dispersion curves for zinc-blende CdX （X= S, Se, Te） are summarized. What is more, based on the lattice dynamical properties, we investigate the thermodynamic properties of CdX （X= S, Se, Te） and analyze the temperature dependences of the Helmholtz free energy F, the internal energy E, the entropy S and the constant-volume specific heat Cv. The results show that the heat capacities for CdTe, CdSe, and CdS approach approximately to the Petit-Dulong limit 6R.展开更多
文摘We investigate the binding energies of excitons in a strained （111）-oriented zinc-blende GaN/Al0.3 Ga0.7 N quantum well screened by the electron-hole （e-h） gas under hydrostatic pressure by combining a variational method and a selfconsistent procedure. A built-in electric field produced by the strain-induced piezoelectric polarization is considered in our calculations. The result indicates that the binding energies of excitons increase nearly linearly with pressure,even though the modification of strain with hydrostatic pressure is considered, and the influence of pressure is more apparent under higher e-h densities. It is also found that as the density of an e-h gas increases,the binding energies first increase slowly to a maximum and then decrease rapidly when the e-h density is larger than about 1 ×10^11 cm^-2. The excitonic binding energies increase obviously as the barrier thickness decreases due to the decrease of the built-in electric field.
基金supported by the National Natural Science Foundation of China(21663021)the Natural Science Key Project of Jiangxi Province(2017ACB20040)the Natural Science Foundation of Jiangxi Province(20161BAB213058)
文摘Uniform and well-dispersed Zn S nanospheres have been successfully synthesized via a facile chemical route. The crystal structure, morphology, surface area and photocatalytic properties of the sample were characterized by powder X-ray diffraction（XRD）, scanning electron microscopy（SEM）, Brunauer-Emmett-Teller（BET） and ultraviolet-visible（UV-vis） spectrum. The results of characterizations indicate that the products are identified as mesoporous zinc-blende ZnS nanospheres with an average diameter of 200 nm, which are comprised of nanoparticles with the crystallite size of about 3.2 nm calculated by XRD. Very importantly, photocatalytic degradation of methylene blue（MB） shows that the as-prepared Zn S nanospheres exhibit excellent photocatalytic activity with nearly 100% of MB decomposed after UV-light irradiation for 25 min. The excellent photocatalytic activity of ZnS nanospheres can be ascribed to the large specific surface area and hierarchical mesoporous structure.
基金Supported by the National Natural Science Foundation of China under Grant No 11374217
文摘The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX （X=S, Se, Te） are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculated lattice constants and bulk modulus are compared with the pubfished experimental and theoretical data. In addition, the Born effective charges, electronic dielectric tensors, phonon frequencies, and longitudinal opticaltransverse optical splitting are calculated by the linear-response approach. Some of the characteristics of the phonon-dispersion curves for zinc-blende CdX （X= S, Se, Te） are summarized. What is more, based on the lattice dynamical properties, we investigate the thermodynamic properties of CdX （X= S, Se, Te） and analyze the temperature dependences of the Helmholtz free energy F, the internal energy E, the entropy S and the constant-volume specific heat Cv. The results show that the heat capacities for CdTe, CdSe, and CdS approach approximately to the Petit-Dulong limit 6R.
