Schottky势垒中的电中性能级、平均键能和费米能级

基于第一原理赝势能带计算。采用电中性能级和平均键能方法计算了7种不同半导体的Schottky接触势垒高度，结果表明2种方法都可用于计算金属-本征半导体的接触势垒高度。文中用于确定接触势垒高度的“本征半导体基态费米能级EF^S,i”不同于半导体物理中所指的“本征费米能级Ei”．n型半导体接触势垒、p型半导体接触势垒和本征半导体势垒，三者在接触界面附近的费米能级都是“钉扎”于本征半导体基态费米能级EF^S,i，是此三者的接触势垒高度大致相同的原因。     

Fe3O4(0O1)表面第一性原理计算

通过第一性原理,基于密度泛函理论框架下的全势线性缀加平面波方法,分别对Fe3O4(001)表面两个不同的模型A模型(以四面体内的Fe为终端)和B模型(以八面体内的Fe和O为终端)进行研究,首先通过驰豫找到最优的原子位置,然后分别通过对两个不同模型态密度和能带的计算得出A模型自旋向上和自旋向下费米能级附近都有电子占据失去了半金属性,B模型费米能级附近自旋向下有电子占据,而自旋向上费米能级处有个明显的带隙,所以仍然保持半金属性,从能带中可以看出A模型半金属性的破坏是由于其表面态的影响.     

GaAs(110)面银膜的紫外和X射线光电子能谱

在三种光波长(光子能量=21.2eV、40.8eV、1486.6eV)下,测量了GaAs(110)解理面上较广的膜厚范围(0.05—1000(?))Ag 膜的紫外光电子能谱和X 射线光电子能谱。分析了Ga3d 峰,As3d 峰、Ag3d 峰、d 带和价带结构随膜厚增加的变化,得到关于费米能级钉扎、半导体一金属界面处的混杂、金属薄膜的费米边和能带结构、d 带紫外光电子谱强度随膜厚增加出现的极大点等的结果,显示出银膜与其他金属膜的一些异同。     

温度和掺杂浓度对delta掺杂GaAs量子阱电子态结构和子带间光学吸收的影响

在有效质量近似下,通过自洽计算求解薛定谔方程和泊松方程,得到了温度不为零时Siδ掺杂的Ga As量子阱系统的电子态结构.研究了温度和掺杂浓度对系统子带能量、费米能级、电子密度分布和子带间光学吸收系数的影响.发现在一定的掺杂浓度下,费米能级会随着温度的升高而降低,子带间入射光总的吸收系数随温度升高而降低;在温度一定时,费米能级和子带能级随掺杂浓度的增大而增大,子带间入射光总吸收系数随掺杂浓度增大而增大.     

Fe3O4（001）表面第一性原理计算

通过第一性原理,基于密度泛函理论框架下的全势线性缀加平面波方法,分别对Fe₃O₄（001）表面两个不同的模型A模型（以四面体内的Fe为终端）和B模型（以八面体内的Fe和O为终端）进行研究,首先通过驰豫找到最优的原子位置,然后分别通过对两个不同模型态密度和能带的计算得出A模型自旋向上和自旋向下费米能级附近都有电子占据失去了半金属性,B模型费米能级附近自旋向下有电子占据,而自旋向上费米能级处有个明显的带隙,所以仍然保持半金属性,从能带中可以看出A模型半金属性的破坏是由于其表面态的影响。     

用“准中性模型”计算硅背表面场太阳电池的特性

本文提出了硅背表面场太阳电池的“准中性”模型.用该模型计算了开路电压及温度系数,与实验符合较好.解释了BSF太阳能电池的开路电压、温度系数较少地依赖于基底电阻率以及开路电压随费米能级差的增加而增加等实验现象.     

Fermi能级钉扎理论及ZnSnO3气敏材料表面态测定

为了进一步研究ZnSnO3气敏半导体表面的能带结构情况和电子得失情况,提出了Fermi能级钉扎理论在气敏材料开发研究中的应用．从实验出发,利用具有高表面态的FeCl2／FeCl3氧化还原对测定了ZnSnO3气敏材料的表面态与表面处导带底的相对位置．结果发现：Femli能级被钉扎在ZnSnO3表面处导带边Ecs下面约0．2eV处．其值基本上不受杂质掺入比例的影响,与掺杂剂的掺入浓度基本上无关,与工作气氛也基本上无关．从而从实验上验证了Fermi能级钉扎理论．     

基于Dirac半金属和水的宽带太赫兹吸波体

本文提出了一种基于体Dirac半金属(BDS)和水的太赫兹(THz)双可调谐宽带超材料吸波体.与传统的单控吸振器不同,此吸波体可以通过温度和费米能级进行调节.模拟结果表明,当水和BDS的温度和费米能级分别调整在15℃和30 meV时,吸波体在2.97～6.11 THz频率范围内吸收率均大于90%.与没有注入水或没有BDS组件的吸波体相比,吸收率在90%以上的带宽有了明显提高.此外,通过调节水的温度或BDS的费米能量,吸波体的吸收带宽和强度可以独立或联合控制,而无需重新设计器件.利用水的介电常数可通过温度来调节的特性,以及BDS可通过费米能量来控制的特点,我们解释了双控吸波体的作用机理.本文采用场分析的方法来研究和阐明宽带吸收的物理机理.基于此吸波体优异的性能,本文的研究结果可能在热探测器和太赫兹成像领域有潜在的应用价值.     

d-Fe晶面电子结构及其与氨合成催化性能关系的量子化学研究

分别用DV-X_α和薄膜层EHMO方法计算铁原子簇Fe_9、Fe_(15)和α-Fe(111)、(100)、(110)三个晶面的电子性质.在上述三个晶面中,(111)面表面原子的排列最为疏松,从态密度分析可知:(111)面表层d带最窄,费米能级附近总的态密度、d轨道态密度和dxz、dyz轨道的电子密度最高,有利于N_2的化学吸附与活化,从而对这三个晶面催化活性的差异作出了合理的解释.     

氟掺杂对碳纳米管场发射特性的影响

首先建立有限长两端开口、一端封闭、两端封闭的(5,5)型单壁碳纳米管的分子模型,采用原子替代方法得到氟掺杂结构.在此基础上,利用基于局域密度泛函理论的第一原理方法对其进行几何结构优化,再计算其结合能、费米能级和电子态密度等,从而讨论氟掺杂对三种碳纳米管场发射特性的影响.计算结果表明,掺氟后三种碳纳米管的费米能级明显升高,其中一端封闭的单壁碳纳米管的费米能级成线性增大,两端封闭的单壁碳纳米管的费米能级升幅最大,且费米能级处的电子态密度较高,说明两端封闭和一端封闭的单壁碳纳米管经氟掺杂后比两端开口的单壁碳纳米管将在场发射上有着更好的应用前景.     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-