Maximizing wave function overlap(WFO)within type-II superlattices(T2SL)is demonstrated to be important for improving their photoelectric properties,such as optical transition strength and quantum efficiency,which,howe...Maximizing wave function overlap(WFO)within type-II superlattices(T2SL)is demonstrated to be important for improving their photoelectric properties,such as optical transition strength and quantum efficiency,which,however,remains a great challenge for now.Herein,the dual strategy of modulating growth temperature and inserting ultrathin AlAs barrier into the AlSb layers is presented to enhance the WFO in InAs/AlSb T2SL.The charge distributions and strain states indicate that moderate growth temperature of 470°C promotes the As-Sb exchange at AlSb-on-InAs(AOI)interfaces,which would introduce skew of energy band structure towards InAs-on-AlSb(IOA)interface.Such band structure could drive electrons and holes to the IOA interfaces simultaneously,thus resulting in the enhanced WFO.On this basis,insertion of relatively thick(0.3 nm)AlAs layers is found to squeeze more holes towards adjacent interfaces,boosting the WFO further.The InAs/AlSb superlattices with optimized WFO reveal better optical performance,where the peak intensity shows 50%improvement in the PL spectra than the original one.Moreover,a dual-miniband radiative transition mechanism appears in the InAs/AlSb superlattice with relatively thick AlAs intercalation,which helps broaden the wavelength range of the superlattice.展开更多
We calculate structural, electronic properties and chemical bonding of borate Li4CaB2O6 under high pressure by means of the local density-functional pseudopotential approach. The equilibrium lattice constants, density...We calculate structural, electronic properties and chemical bonding of borate Li4CaB2O6 under high pressure by means of the local density-functional pseudopotential approach. The equilibrium lattice constants, density of states, Mulliken population, bond lengths, bond angles as well as the pressure dependence of the band gap are presented. Analysis of the simulated high pressure band structure suggests that borate Li4CaB2O6 can be used as the semi-conductor optical material. Based on the Mulliken population analysis, it is found that the electron transfer of the Li atom is very different from that of other atoms in the studied range of high pressures. The charge populations of the Li atom decrease with the pressure up to 60 GPa, then increase with the pressure.展开更多
基金supported by the National Natural Science Foundation of China(Nos.51725101,11727807,51672050,61790581,and 22088101)the Ministry of Science and Technology of China(No.2018YFA0209102)Infrastructure and Facility Construction Project of Zhejiang Laboratory.
文摘Maximizing wave function overlap(WFO)within type-II superlattices(T2SL)is demonstrated to be important for improving their photoelectric properties,such as optical transition strength and quantum efficiency,which,however,remains a great challenge for now.Herein,the dual strategy of modulating growth temperature and inserting ultrathin AlAs barrier into the AlSb layers is presented to enhance the WFO in InAs/AlSb T2SL.The charge distributions and strain states indicate that moderate growth temperature of 470°C promotes the As-Sb exchange at AlSb-on-InAs(AOI)interfaces,which would introduce skew of energy band structure towards InAs-on-AlSb(IOA)interface.Such band structure could drive electrons and holes to the IOA interfaces simultaneously,thus resulting in the enhanced WFO.On this basis,insertion of relatively thick(0.3 nm)AlAs layers is found to squeeze more holes towards adjacent interfaces,boosting the WFO further.The InAs/AlSb superlattices with optimized WFO reveal better optical performance,where the peak intensity shows 50%improvement in the PL spectra than the original one.Moreover,a dual-miniband radiative transition mechanism appears in the InAs/AlSb superlattice with relatively thick AlAs intercalation,which helps broaden the wavelength range of the superlattice.
基金Supported by the National Natural Science Foundation of China under Grant No 10676025.
文摘We calculate structural, electronic properties and chemical bonding of borate Li4CaB2O6 under high pressure by means of the local density-functional pseudopotential approach. The equilibrium lattice constants, density of states, Mulliken population, bond lengths, bond angles as well as the pressure dependence of the band gap are presented. Analysis of the simulated high pressure band structure suggests that borate Li4CaB2O6 can be used as the semi-conductor optical material. Based on the Mulliken population analysis, it is found that the electron transfer of the Li atom is very different from that of other atoms in the studied range of high pressures. The charge populations of the Li atom decrease with the pressure up to 60 GPa, then increase with the pressure.
