The triatomic and tetratomic gas molecule adsorption effects on the electrical conductivity of graphene areinvestigated by the tight-binding model,Green’s function method,and coherent potential approximation.We find ...The triatomic and tetratomic gas molecule adsorption effects on the electrical conductivity of graphene areinvestigated by the tight-binding model,Green’s function method,and coherent potential approximation.We find thatthe electrical conductivity of graphene sheet is sensitive to the adsorption of these gases.展开更多
The chemisorption energy of hydrogen on semiconductor/alloy composite substrates are investigated. (?)g the conplex-energy-plane integration approach. The electronic properties of the substrate are described by using ...The chemisorption energy of hydrogen on semiconductor/alloy composite substrates are investigated. (?)g the conplex-energy-plane integration approach. The electronic properties of the substrate are described by using the Green function method within the framework of the tight-binding approximation. The coherent potential approximation (CPA) is used to deal with the alloys. specific calculations are performed for the H-ZnO/Ni_xCu_(1-x) and H-ZnO/Ag_xpd_(1-x) systems.展开更多
Based on the modification of the simplified coherent potential approximation(SCPA),a model is developed to calculate the composition dependence of the band gap energy of III-V ternary alloys with the same anion.The de...Based on the modification of the simplified coherent potential approximation(SCPA),a model is developed to calculate the composition dependence of the band gap energy of III-V ternary alloys with the same anion.The derived equation is used to fit the experimental band gap energy of In x Al 1 x N,In x Ga 1 x N and Al x Ga 1 x N with x from 0 to 1.It is found that the fitting results are better than those done by using SCPA.The fitting results are also better than those obtained by using the formula with a small bowing coefficient,especially for In x Al 1 x N.In addition,our model can also be used to describe the composition dependence of band gap energy of other III-V ternary alloys.展开更多
文摘The triatomic and tetratomic gas molecule adsorption effects on the electrical conductivity of graphene areinvestigated by the tight-binding model,Green’s function method,and coherent potential approximation.We find thatthe electrical conductivity of graphene sheet is sensitive to the adsorption of these gases.
文摘The chemisorption energy of hydrogen on semiconductor/alloy composite substrates are investigated. (?)g the conplex-energy-plane integration approach. The electronic properties of the substrate are described by using the Green function method within the framework of the tight-binding approximation. The coherent potential approximation (CPA) is used to deal with the alloys. specific calculations are performed for the H-ZnO/Ni_xCu_(1-x) and H-ZnO/Ag_xpd_(1-x) systems.
基金supported by the Special Funds for Major State Basic Research Project (Grant No. 2011CB301900)the National Natural Science Foundation of China (Grant No. 60990311)
文摘Based on the modification of the simplified coherent potential approximation(SCPA),a model is developed to calculate the composition dependence of the band gap energy of III-V ternary alloys with the same anion.The derived equation is used to fit the experimental band gap energy of In x Al 1 x N,In x Ga 1 x N and Al x Ga 1 x N with x from 0 to 1.It is found that the fitting results are better than those done by using SCPA.The fitting results are also better than those obtained by using the formula with a small bowing coefficient,especially for In x Al 1 x N.In addition,our model can also be used to describe the composition dependence of band gap energy of other III-V ternary alloys.
