Valence-band offsets of strained heterojunction ZnS/ZnSe

采用基于lMTO-ASA的平均结合能计算方法，研究了在znSXSE1-X衬底上沿（001）方向外延生长的应变层异质结znS/znSE的价带带阶值。研究表明，应变的结果使价带带阶随衬底组分（X）的变化呈非线性且单调的关系；与其他理论计算和实验结果比较，本文的计算结果比较理想The valence-band offsets (VBO) of strained heterojunction ZnS/ZnSe as a function of the alloy composition x of ZnS x Se 1- x substrates are studied using the average-bond-energy theory based on LMTO-ASA method.It is shown that the strain leads to the nonlinear and monotonous variation of VBO's with x .The calculation results are more desirable compared with the theoretical and experimental data previously reported.国家和福建省自然科学基

VALENCE BAND ofFSETS of TERNARY ALLOY HETEROJUNCTIONS (AlP) x (Si 2) 1-x /GaP AND (GaP) x (Si 2) 1-x /GaP

采用基于lMTOASA的平均键能计算方法和原子集团展开方法，研究了两组晶格匹配三元合金异质结（AlP）X（SI2）1-X/gAP和（gAP）X（SI2）1-X/gAP的价带带阶ΔEV（X）值。研究表明，两组异质结的ΔEV（X）值随合金组分X的变化都是非线性的，且表现出非单调的关系。The valence band ofFsets Δ E v(x) as a Function of the alloy compositon x of two typical lattice matched ternary alloy heterojunctions (AlP) x (Si 2) 1-x /GaP and (GaP) x (Si 2) 1-x /GaP are studied by using the average bond energy theory in conjunction with the cluster expansion method.It is shown that the variations of Δ E v(x) at (AlP) x (Si 2) 1-x /GaP and (GaP) x (Si 2) 1-x /GaP are nonlinear and non monotonous.The calculated results of Δ E v are in very good agreement with the data previously reported.国家和福建省自然科学基

Electronic Structure of Strained layer Superlattice GaN AlN

采用有效质量理论6带模型，计算了应变层超晶格gAnAln（001）的电子结构，具体计算不同应变状态的价带子能带色散曲线、光吸收曲线。分析了应变状态以及重轻空穴和自旋轨道分裂带相互作用对子带结构的影响。The electronic structure of strained layer superlattice GaN AlN(001) has been studied within framework of the 6 band Luttinger model in the effective mass theory. The valence band structure and the absorption spectra for different strain conditions are calculated. The effects of strain and coupling among heavy hole, light hole, and spin split off bands on valence band structure are discussed.福建省自然科学基金;厦门光电子工业部资

The Static Properties of AlN and GaN,and the Valence-band ofFsets of AlN/GaN Heterojunction

采用lMTO能带从头计算方法，计算了闪锌矿（立方）结构AIn和gAn的静态性质；用平均键能方法，预言了Aln与gAn自由应变生长、以Aln为衬底和以gAn为衬底等三种不同应变状态下Aln/gAn应变层异质结的△EV值；最后，采用超原胞（AIn）n（gAn）n（001），（n=1，3，5）界面自洽计算方法，考察了超晶格中平均键能EM的“对齐”程度和验证了价带偏移△EV计算结果的准确性。The static properties of cubic AlN and GaN (zinc-blende structure) are calculated by ab initio LMTO method.Using average bonding energy method,the valence-band ofFsets of AlN/GaN strained layer heterojunction under three strained conditions (i.e.growing GaN layer on substrate of AlN,growing AlN layer on substrate of GaN,and AlN and GaN strained Freely to Form the hetero-junction) are predicted.Finally, the calculated results of valence-band ofFsets △Ev and the "alignment" of average bonding energy Em in strained layer superlattice (AlN )n (GaN)n (001), (n = 1,3, 5) are veriFied by supercell selF-consistent calculation.福建省自然科学基

Calculation of Optical Properties of Zinc blende GaN,AlN and Their Alloys Ga 1 x Al x N

闪锌矿结构gAn、Aln和合金gA1-XAlXn光学性质计算何国敏王仁智郑永梅（厦门大学物理学系厦门361005）随着人们对发光二极管和半导体激光器等光电器件的深入研究，工作于蓝紫波段的半导体材料受到普遍的重视.宽带隙半导体gAn和Aln正是目前蓝紫...The nonlocal empirical pseudopotential method has been used to calculate the electronic structure of GaN, AlN and their alloys Ga 1 x Al x N .The imaginary part of the dielectric function of alloys Ga 1 x Al x N is also calculated with the virtual crystal approximation,and its trend versus Al fraction x are also discussed.国家和福建省自然科学基金;厦门大学光电子公司工业部资

正态分布近似式的研究

正态分布近似式的研究郑金成蔡淑惠王仁智郑永梅程灿东（厦门大学物理系，361005）正态分布是一种重要的概率分布，在许多情况下，简单的近似解析方程有助于问题的解决。通过将理论计算与数值模拟相结合的方法给出了一个较好的近似式。标准正态分布函数的形式为Φ（..

Exploration of Advanced Cultivation Mode for"Top-Notch Undergraduate Education"in Laboratory Teaching of Basic Organic Chemistry

近几年,为适应'拔尖创新人才培养建设项目'的新要求,基础有机化学实验教学在培养拔尖创新人才方面进行了一些有益的探索,其中成果与不足并存。本文从培养目标、培养模式、评价模式、不足之处、成效与展望5个方面,总结并探讨了基础有机化学实验中'拔尖计划'学生的进阶培养模式。2016年度教育部“基础学科拔尖学生培养试验计划”研究课题;国家基础科学人才培养基金项目(J1310024);厦门大学教学改革研究项

Valence Subband Structure and Optical Gain of InGaAs/InP Quantum Wire

采用有效质量理论 6带模型 ,计算了 In0 .53Ga0 .4 7As/ In P量子线的光学性质 ,具体计算了In0 .53Ga0 .4 7As/ In P量子线的能带结构、态密度、载流子浓度、光学跃迁矩阵元和光学增益谱 ,并把量子线的光学增益谱和量子阱的光学增益谱作了比较。福建省自然科学基金资助课题 (No.E9910 0 0 5

“基础学科拔尖学生培养试验计划”中的有机模块化实验探索

近年来,我们以"拔尖创新人才培养建设项目"为平台,对基础有机化学实验教学改革进行了多方的探索。从实验的目标、模块设计、模块构建以及经验教训与展望四个方面,对"拔尖计划"有机模块化实验进行了探讨和反思。2018年“基础学科拔尖学生培养试验计划”研究课题(20180709)国家基础科学人才培养基金(J1310024

Average-bond-energy and Fermi Level on Free Electronic Band

【中文摘要】 根据半导体自由电子能带模型 ,文中在面心立方 (fcc)晶体、体心立方 (bcc)晶体和 6角密堆积 (hcp)晶体中研究自由电子能带的平均键能 Em 和费米能级 EF 的关系 ,并得出自由电子能带的平均键能 Em 相当于费米能级 EF 的研究结果。其结果有助于了解平均键能 Em 的物理实质 ,同时也为自由电子系统提供一种通过自由电子能带计算费米能级 EF(或费米半径 k F)的方法 【英文摘要】 Based on the free electronic band model, we study the relationship between average bond energy E m and Fermi level E F in face centered cubic (fcc) crystal, body centered cubic (bcc) crystal and hexagonal closed packed structure (hcp) crystal. It is concluded that the average bond energy E m is equivalent to the Fermi level E F on free electronic band. The results may help to understand the physical conception of average bond energy E m and also supply a method to calcu...高校博士点基金 (9538409); 福建省自然科学基金 (E990005)资助项