The calculated methods of the compositional dependence of the energy bandgap for Ga_xIn_(1-x)As_(1-y)Sb_y quaternary alloys are discussed in this paper. The dielectric theory of electronegativity and the linearinterpo...The calculated methods of the compositional dependence of the energy bandgap for Ga_xIn_(1-x)As_(1-y)Sb_y quaternary alloys are discussed in this paper. The dielectric theory of electronegativity and the linearinterpolation method were respectively used to calculate the compositional dependence of the energybandgap for Ca_xIn_(1-x)As_(1-y)Sb_y quaternary alloys. The same formula was deduced from the two schemes.According to the two formulas, we calculate the energy handgap as a function of alloy compositions forGa_xIn_(1-x)As_(1-y)Sb_y quaternary alloys: moreover, the temperature effect was lead into the formulas. Com-paring the calculated values with the measured ones, we found that the calculated method is in good agree-ment with the experimental data for Ga_xIn_(1-x)As_(1-y_Sb_y quaternary alloys.展开更多
Inspired by the recently predicted 2D MX_(2)Y_(6)(M=metal element;X=Si/Ge/Sn;Y=S/Se/Te),we explore the possible applications of alkaline earth metal(using magnesium as example)in this family based on the idea of eleme...Inspired by the recently predicted 2D MX_(2)Y_(6)(M=metal element;X=Si/Ge/Sn;Y=S/Se/Te),we explore the possible applications of alkaline earth metal(using magnesium as example)in this family based on the idea of element replacement and valence electron balance.Herein,we report a new family of 2D quaternary compounds,namely MgMX_(2)Y_(6)(M=Ti/Zr/Hf;X=Si/Ge;Y=S/Se/Te)monolayers,with superior kinetic,thermodynamic and mechanical stability.In addition,our results indicate that MgMX_(2)Y_(6)monolayers are all indirect band gap semiconductors with band gap values ranging from 0.870 to 2.500 eV.Moreover,the band edges and optical properties of 2D MgMX_(2)Y_(6)are suitable for constructing multifunctional optoelectronic devices.Furthermore,for comparison,the mechanical,electronic and optical properties of In_(2)X_(2)Y_(6)monolayers have been discussed in detail.The success of introducing Mg into the 2D MX_(2)Y_(6)family indicates that more potential materials,such as Caand Sr-based 2D MX_(2)Y_(6)monolayers,may be discovered in the future.Therefore,this work not only broadens the existing family of 2D semiconductors,but it also provides beneficial results for the future.展开更多
文摘The calculated methods of the compositional dependence of the energy bandgap for Ga_xIn_(1-x)As_(1-y)Sb_y quaternary alloys are discussed in this paper. The dielectric theory of electronegativity and the linearinterpolation method were respectively used to calculate the compositional dependence of the energybandgap for Ca_xIn_(1-x)As_(1-y)Sb_y quaternary alloys. The same formula was deduced from the two schemes.According to the two formulas, we calculate the energy handgap as a function of alloy compositions forGa_xIn_(1-x)As_(1-y)Sb_y quaternary alloys: moreover, the temperature effect was lead into the formulas. Com-paring the calculated values with the measured ones, we found that the calculated method is in good agree-ment with the experimental data for Ga_xIn_(1-x)As_(1-y_Sb_y quaternary alloys.
基金supported by the National Natural Science Foundation of China (Grant No. 61974049, 62222404 61974050)National Key Research and Development Plan of China (Grant No. 2021YFB3601200)
文摘Inspired by the recently predicted 2D MX_(2)Y_(6)(M=metal element;X=Si/Ge/Sn;Y=S/Se/Te),we explore the possible applications of alkaline earth metal(using magnesium as example)in this family based on the idea of element replacement and valence electron balance.Herein,we report a new family of 2D quaternary compounds,namely MgMX_(2)Y_(6)(M=Ti/Zr/Hf;X=Si/Ge;Y=S/Se/Te)monolayers,with superior kinetic,thermodynamic and mechanical stability.In addition,our results indicate that MgMX_(2)Y_(6)monolayers are all indirect band gap semiconductors with band gap values ranging from 0.870 to 2.500 eV.Moreover,the band edges and optical properties of 2D MgMX_(2)Y_(6)are suitable for constructing multifunctional optoelectronic devices.Furthermore,for comparison,the mechanical,electronic and optical properties of In_(2)X_(2)Y_(6)monolayers have been discussed in detail.The success of introducing Mg into the 2D MX_(2)Y_(6)family indicates that more potential materials,such as Caand Sr-based 2D MX_(2)Y_(6)monolayers,may be discovered in the future.Therefore,this work not only broadens the existing family of 2D semiconductors,but it also provides beneficial results for the future.
