第一性原理研究Te-N共掺p型ZnO

采用基于密度泛函理论的第一性原理赝势法对Te-N共掺杂ZnO体系的晶格结构、 杂质态密度和电子结构进行了理论分析.研究表明, N掺杂引起晶格收缩,而Te的掺入引起晶格膨胀, 从而减小晶格应力促进N的掺杂,并且Te由于电负性小于O而带正电, Te在ZnO中作为等电子施主而存在.研究发现, N掺杂体系中在费米能级附件形成窄的深受主能级, 而Te-N共掺体系中, N杂质带变宽,空穴更加离域,同时,空穴有效质量变小,受主能级变浅, 更有利于实现p型特性.因此, Te-N共掺有望成为一种更为有效的p型掺杂手段.     

GaN基LED溢出电流的模拟

通过分析影响电子溢出的因素,建立多量子阱的物理模型,得到溢出电流表达式.研究了外加电压与极化效应对溢出电流的影响,认为极化效应使能带弯曲,电子溢出量子阱,溢出电流大幅度增加.考虑了LED散热和载流子屏蔽效应对溢出电流的影响,并为减小溢出电流提供了思路.     

Performance improvement of InGaN blue light-emitting diodes with several kinds of electron-blocking layers

The performance of InGaN blue light-emitting diodes(LEDs) with different kinds of electron-blocking layers is investigated numerically.We compare the simulated emission spectra,electron and hole concentrations,energy band diagrams,electrostatic fields,and internal quantum efficiencies of the LEDs.The LED using AlGaN with gradually increasing Al content from 0% to 20% as the electron-blocking layer(EBL) has a strong spectrum intensity,mitigates efficiency droop,and possesses higher output power compared with the LEDs with the other three types of EBLs.These advantages could be because of the lower electron leakage current and more effective hole injection.The optical performance of the specifically designed LED is also improved in the case of large injection current.     

The influence of AlGaN/GaN superlattices as electron blocking layers on the performance of blue InGaN light-emitting diodes

P-AlGaN/P-GaN superlattices are investigated in blue InGaN light-emitting diodes as electron blocking layers.The simulation results show that efficiency droop is markedly improved due to two reasons:(i) enhanced hole concentration and hole carrier transport efficiency in AlGaN/GaN superlattices,and(ii) enhanced blocking of electron overflow between multiple quantum-wells and AlGaN/GaN superlattices.     

The influence of A1GaN/GaN superlattices as electron blocking layers on the performance of blue InGaN light-emitting diodes

P-A1GaN/P-GaN superlattices are investigated in blue InGaN light-emitting diodes as electron blocking layers. The simulation results show that efficiency droop is markedly improved due to two reasons： （i） enhanced hole concentration and hole carrier transport efficiency in A1GaN/GaN superlattices, and （ii） enhanced blocking of electron overflow between multiple quantum-wells and A1CaN/GaN superlattices.     

Performance improvement of blue light-emitting diodes with an AlInN/GaN superlattice electron-blocking layer

The characteristics of a blue light-emitting diode (LED) with an AlInN/GaN superlattice (SL) electron-blocking layer (EBL) are analyzed numerically. The carrier concentrations in the quantum wells, energy band diagrams, electrostatic fields, and internal quantum efficiency are investigated. The results suggest that the LED with an AlInN/GaN SL EBL has better hole injection efficiency, lower electron leakage, and smaller electrostatic fields in the active region than the LED with a conventional rectangular AlGaN EBL or a AlGaN/ GaN SL EBL. The results also indicate that the efficiency droop is markedly improved when an AlInN/GaN SL EBL is used.     

纤锌矿BeO掺Cd的电子结构与能带特性研究

采用基于密度泛函理论平面波赝势方法, 对纤锌矿BeO掺Cd的Be_1-xCd_xO合金进行电子结构与能带特性研究. 结果表明: Be_1-xCd_xO的价带顶始终由O 2p电子态决定, 而导带底由Be 2s和Cd 5s的电子态决定.随着Be_1-xCd_xO合金的Cd掺杂量增加, Cd 4d与O 2p的排斥效应逐渐加强, 同时Be_1-xCd_xO的带隙逐渐变小, 出现"直接-间接-直接"的带隙转变. 为了使理论值与实验值相一致, 对Be_1-xCd_xO带隙进行修正, 并分析了纤锌矿BeO-ZnO-CdO三元合金的带隙和弯曲系数与晶格常数的关系.