The behaviour of optical interface phonon is investigated first for the graded quantum well of Ga_(l-x)Al_(x)As in the dielectric continuum model.It is found that the behaviour of interface phonon modes is quite diffe...The behaviour of optical interface phonon is investigated first for the graded quantum well of Ga_(l-x)Al_(x)As in the dielectric continuum model.It is found that the behaviour of interface phonon modes is quite different from that in square quantum well structure.The dispersions of the interface modes are sensitive to the gradient of the graded quantum well structure,and the symmetry of modes can be changed greatly,which is important for phonon-related phenomena.展开更多
The electronic structure of C_(70) molecule with D5h symmetry has been studied using a simple tight-binding approximation.Comparing the results with those of local-density approximation calculation and experiment,we h...The electronic structure of C_(70) molecule with D5h symmetry has been studied using a simple tight-binding approximation.Comparing the results with those of local-density approximation calculation and experiment,we have determined the hopping matrix element.We have also compared the electronic structure and charge density over cluster of C_(70) with the results of ellipsoid model,and found the angular momentum and magnetic quantum number(1 and m)of each bunch and level.展开更多
Using a tight-binding approximation,we have calculated the electronic structure of the suggested CBN ball created from buckyball C_(60) in which 48 carbon atoms are replaced with 24 boron atoms and 24 nitrogen atoms.
Using the first-principle self-consistent linear-muffin-tin-orbital method within the local density approximation,band structure of(111)-oriented strained-layer SiGe superlattice is studied.Three different ordered arr...Using the first-principle self-consistent linear-muffin-tin-orbital method within the local density approximation,band structure of(111)-oriented strained-layer SiGe superlattice is studied.Three different ordered arrangements of atom layers(Si-Ge■Si-Ge Si-Si■Ge-Ge and Si■Si-Ge■Ge)are considered.Calculated results indicate that(111)-oriented SiGe strained layer superlattices are semiconductive,with a band gap about 1.OeV.The first two superlattices are indirect band gap semiconductors,and the third one(Si■Si-Ge■Ge)is a direct band gap semiconductor.The influence of strain on the band structure is also investigated.展开更多
文摘The behaviour of optical interface phonon is investigated first for the graded quantum well of Ga_(l-x)Al_(x)As in the dielectric continuum model.It is found that the behaviour of interface phonon modes is quite different from that in square quantum well structure.The dispersions of the interface modes are sensitive to the gradient of the graded quantum well structure,and the symmetry of modes can be changed greatly,which is important for phonon-related phenomena.
文摘The electronic structure of C_(70) molecule with D5h symmetry has been studied using a simple tight-binding approximation.Comparing the results with those of local-density approximation calculation and experiment,we have determined the hopping matrix element.We have also compared the electronic structure and charge density over cluster of C_(70) with the results of ellipsoid model,and found the angular momentum and magnetic quantum number(1 and m)of each bunch and level.
文摘Using a tight-binding approximation,we have calculated the electronic structure of the suggested CBN ball created from buckyball C_(60) in which 48 carbon atoms are replaced with 24 boron atoms and 24 nitrogen atoms.
文摘Using the first-principle self-consistent linear-muffin-tin-orbital method within the local density approximation,band structure of(111)-oriented strained-layer SiGe superlattice is studied.Three different ordered arrangements of atom layers(Si-Ge■Si-Ge Si-Si■Ge-Ge and Si■Si-Ge■Ge)are considered.Calculated results indicate that(111)-oriented SiGe strained layer superlattices are semiconductive,with a band gap about 1.OeV.The first two superlattices are indirect band gap semiconductors,and the third one(Si■Si-Ge■Ge)is a direct band gap semiconductor.The influence of strain on the band structure is also investigated.