We theoretically and numerically demonstrate that a transmission-type electrically tunable polarizer can be realized by using graphene ribbons supported on a dielectric film with a graphene sheet behind. The polarizat...We theoretically and numerically demonstrate that a transmission-type electrically tunable polarizer can be realized by using graphene ribbons supported on a dielectric film with a graphene sheet behind. The polarization mechanism originates from the antenna plasmon resonance of graphene stripes. The results of full-wave numerical simulations reveal that transmittance of 0.70 for one polarization and 0.0073 for another polarization can be obtained at normal incidence. The transmission-type electrically tunable polarizer provides and facilitates a variety of applications, including filtering, detecting, and imaging.展开更多
The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functi...The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functional theory (DFT). The effects of antimony (Sb) on the lattices,electric bands,electronic state density,absorption spectroscopy,and band gap between the valence band maximum (VBM) and the conduction band minimum (CBM) of CdTe1-xSbx are discussed. The results show that the antimonic atoms in the lattice are advantageous in promoting the hole concentration and conductivities of CdTe1-xSbx. The increase of the Sb content in CdTe1-xSbx reduces the interaction among Cd,Te,and Sb; resulting in a decreased binding energy within CdTe1-xSbx as well as an increase in the electronic gap. Also discussed are the mechanics for the lattice phase change of CdTe1-xSbx at x=0.5.展开更多
The structure of electronic energy bands, electric charge distribution and the amount of charge transfer of molecular crystals 1-MCI·(TCNQ)_2 (Ⅰ) and 2-MCI· (TCNQ)_2 (Ⅱ) have been studied. The results are...The structure of electronic energy bands, electric charge distribution and the amount of charge transfer of molecular crystals 1-MCI·(TCNQ)_2 (Ⅰ) and 2-MCI· (TCNQ)_2 (Ⅱ) have been studied. The results are: (ⅰ) The dominant contributions to the electrical conductivities for crystals Ⅰ and Ⅱ are from TCNQ molecular columns, and the charge carriers are electrons. (ⅱ) The electrical conduction is mainly due to the hopping of charge carriers between the seats of lattice. (ⅲ) The considerable difference of the electrical conductivities between crystals Ⅰ and Ⅱ is due to the differences between (a) the concentrations of charge carriers n_(AⅠ)~C= 0.9988-|e|/cell and n_(AⅡ)~C=0.0340-|e|/cell; (b) the widths of the energy bands △E_(AⅠ)^(LU)=0.88 eV and △E_(AⅡ)~LU=0.040 eV; (c) the first derivative of E with respect to k, (dE/dk)_(K_FAⅠ)^(LU)=0.27 eV· and (dE/dk)_(K_FAⅡ)~LU=0.0048 eV·; and (d) the difference of energy barriers for the hopping of charge carriers ∈_Ⅱ-∈Ⅰ=2.5-8.8 kJ/mol.展开更多
The structural properties, band structures and densities of states of Sn-doped Ga1.375In0.625O3 with a Sn atom substituting for the Ga atom or a Sn atom substituting for the In atom are calculated by using the firstpr...The structural properties, band structures and densities of states of Sn-doped Ga1.375In0.625O3 with a Sn atom substituting for the Ga atom or a Sn atom substituting for the In atom are calculated by using the firstprinciples method. The substitution of the Sn atom for the Ga atom in Ga1.375In0.625O3(Ga1.25In0.625Sn0.125O3/has larger lattice parameters and stronger Sn–O ionic bonds than that of the substitutional doping of the Sn atom for the In atom in Ga1.375In0.625O3(Ga1.375In0.5Sn0.125O3/. Results show that the Sn atom is preferentially substituted for the In atom in Sn-doped Ga1.375In0.625O3. Sn-doped Ga1.375In0.625O3 exhibits n-type metallic conductivity,and the impurity bands are mainly provided by the Sn 5s states. The optical band gap of Ga1.375In0.5Sn0.125O3is larger than that of Ga1.25In0.625Sn0.125O3. Ga1.25In0.625Sn0.125O3 has a smaller electron effective mass and a slightly larger mobility. However, Ga1.375In0.5Sn0.125O3 has a larger relative electron number and a slightly higher conductivity.展开更多
基金Supported by the National Basic Research Program of China under Grant No 2012CB933501the National Natural Science Foundation of China under Grant Nos 61177051,11304389,61404174 and 61205087
文摘We theoretically and numerically demonstrate that a transmission-type electrically tunable polarizer can be realized by using graphene ribbons supported on a dielectric film with a graphene sheet behind. The polarization mechanism originates from the antenna plasmon resonance of graphene stripes. The results of full-wave numerical simulations reveal that transmittance of 0.70 for one polarization and 0.0073 for another polarization can be obtained at normal incidence. The transmission-type electrically tunable polarizer provides and facilitates a variety of applications, including filtering, detecting, and imaging.
文摘The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functional theory (DFT). The effects of antimony (Sb) on the lattices,electric bands,electronic state density,absorption spectroscopy,and band gap between the valence band maximum (VBM) and the conduction band minimum (CBM) of CdTe1-xSbx are discussed. The results show that the antimonic atoms in the lattice are advantageous in promoting the hole concentration and conductivities of CdTe1-xSbx. The increase of the Sb content in CdTe1-xSbx reduces the interaction among Cd,Te,and Sb; resulting in a decreased binding energy within CdTe1-xSbx as well as an increase in the electronic gap. Also discussed are the mechanics for the lattice phase change of CdTe1-xSbx at x=0.5.
基金Project supported by the National Natural Science Foundation of China.
文摘The structure of electronic energy bands, electric charge distribution and the amount of charge transfer of molecular crystals 1-MCI·(TCNQ)_2 (Ⅰ) and 2-MCI· (TCNQ)_2 (Ⅱ) have been studied. The results are: (ⅰ) The dominant contributions to the electrical conductivities for crystals Ⅰ and Ⅱ are from TCNQ molecular columns, and the charge carriers are electrons. (ⅱ) The electrical conduction is mainly due to the hopping of charge carriers between the seats of lattice. (ⅲ) The considerable difference of the electrical conductivities between crystals Ⅰ and Ⅱ is due to the differences between (a) the concentrations of charge carriers n_(AⅠ)~C= 0.9988-|e|/cell and n_(AⅡ)~C=0.0340-|e|/cell; (b) the widths of the energy bands △E_(AⅠ)^(LU)=0.88 eV and △E_(AⅡ)~LU=0.040 eV; (c) the first derivative of E with respect to k, (dE/dk)_(K_FAⅠ)^(LU)=0.27 eV· and (dE/dk)_(K_FAⅡ)~LU=0.0048 eV·; and (d) the difference of energy barriers for the hopping of charge carriers ∈_Ⅱ-∈Ⅰ=2.5-8.8 kJ/mol.
基金Project supported by the National Natural Science Foundation of China(No.10974077)the Innovation Project of Shandong Graduate Education,China(No.SDYY13093)
文摘The structural properties, band structures and densities of states of Sn-doped Ga1.375In0.625O3 with a Sn atom substituting for the Ga atom or a Sn atom substituting for the In atom are calculated by using the firstprinciples method. The substitution of the Sn atom for the Ga atom in Ga1.375In0.625O3(Ga1.25In0.625Sn0.125O3/has larger lattice parameters and stronger Sn–O ionic bonds than that of the substitutional doping of the Sn atom for the In atom in Ga1.375In0.625O3(Ga1.375In0.5Sn0.125O3/. Results show that the Sn atom is preferentially substituted for the In atom in Sn-doped Ga1.375In0.625O3. Sn-doped Ga1.375In0.625O3 exhibits n-type metallic conductivity,and the impurity bands are mainly provided by the Sn 5s states. The optical band gap of Ga1.375In0.5Sn0.125O3is larger than that of Ga1.25In0.625Sn0.125O3. Ga1.25In0.625Sn0.125O3 has a smaller electron effective mass and a slightly larger mobility. However, Ga1.375In0.5Sn0.125O3 has a larger relative electron number and a slightly higher conductivity.