层状graphene/WSSe范德瓦耳斯异质结电子特性和界面接触的理论研究

利用第一性原理计算方法研究了层间距和外部电场对graphene/WSSe范德瓦耳斯异质结的电子特性和界面接触的影响规律。由于范德瓦耳斯力作用,graphene和WSSe单层的电子特性可以被保留在graphene/WSSe异质结中。当形成graphene/WSSe异质结时,在石墨烯的狄拉克锥中可以发现小的带隙值(7 meV)。电荷转移产生的内建电场在有效阻碍光激发载流子复合中起着关键作用。与两个独立单层相比,graphene/WSSe异质结在可见光区域具有增强的光吸收,在光电子器件中展现出了潜在应用价值。此外,graphene/WSSe异质结在平衡层间距处显示出n型肖特基接触特性。层间距和外部电场都可以用来改变graphene/WSSe异质结的肖特基势垒高度和接触类型,并有效调节graphene狄拉克锥的位置。本文研究内容为graphene/WSSe异质结在纳米电子和光电子器件领域的应用提供理论依据。     

ZnO过渡层对Au/Hg3In2Te6肖特基接触特性的影响研究

利用脉冲激光沉积技术在Hg3In2Te6晶体表面制备ZnO过渡层,并对ZnO过渡层进行了表征.结合X射线光电子能谱深度剖析对ZnO/Hg3In2Te6界面元素的化合态进行研究,并通过半导体参数分析仪对Au/ZnO/Hg3In2Te6肖特基接触电学特性进行测试.研究结果表明,采用本实验条件可在Hg3In2Te6晶体表面获得结晶度高、表面粗糙度低,且沿(002)晶面择优生长的ZnO过渡层.同时,ZnO过渡层的引入使Au/Hg3In2Te6肖特基接触的漏电流降低一个数量级,势垒高度提高6.5;.这种现象可能是由于ZnO/Hg3In2Te6界面存在的互扩散使O原子占据了Hg原子空位,从而降低耗尽层中能级缺陷而引起.     

p-ZnO薄膜及其异质结的光电性质

采用射频磁控溅射法,在不同的Ar∶O2条件下,以高掺磷n型Si衬底为磷掺杂源制备了p型ZnO薄膜和p-ZnO/n-Si异质结.对ZnO∶P薄膜进行了光致发光谱(PL)、霍尔参数、Ⅰ-Ⅴ特性、扫描电镜(SEM)和X射线衍射谱(XRD)等测试.结果表明,获得的ZnO∶P薄膜沿(0002)晶面高取向生长,以3.33 eV近带边紫外发光为主,伴有2.69 eV附近的深能级绿色发光峰,空穴浓度为8.982 × 1017/cm3,空穴迁移率为9.595 cm2/V·s,p-ZnO/n-Si异质结I-V整流特性明显,表明ZnO∶P薄膜具有p型导电特性.     

光辐照对单根In掺杂ZnO纳米线电学性质的影响

通过化学气相沉积方法成功制备了高质量的In掺杂ZnO纳米线.选用325 nm的He-Cd激光器做为光源,进一步探究了单根In掺杂ZnO纳米线的光响应特性.结果表明:紫外光辐照可使金属电极与纳米线之间的有效肖特基接触势垒下降,使接触类型由肖特基接触转变到欧姆接触;撤去紫外光后,电极与纳米线之间的接触可以恢复到未光照时的肖特基接触.讨论了肖特基接触与欧姆接触之间转变的物理机制.     

石墨烯/CdTe肖特基结薄膜太阳能电池制备及光电性能研究

采用气相输运沉积技术(VTD)制备了晶体形状规则、晶粒度较大的p型CdTe半导体吸光层薄膜;通过"直接贴附"转移法,将双层石墨烯(GR)转移到CdTe薄膜表面,制备出了新型的GR/CdTe肖特基结太阳能电池.实验结果表明:"直接贴附"转移法获得的石墨烯透光率高、导电性好,制备得到的GR/CdTe肖特基结太阳能电池的转换效率约为1;,是传统"丙酮湿法"转移法的3倍.     

ZnO薄膜结构缺陷与发光性能研究(二)

在ZnO发光材料中存在的各种结构缺陷是制约ZnO发光性能的一个关键因素。本文在查阅文献的基础上,总结了ZnO薄膜材料中可能存在的缺陷类型,并就位错及界面的性质及其对发光性能影响的研究现状做了重点评述。位错作为非辐射复合中心大大降低了半导体器件的发光效率及使用寿命。ZnO颗粒晶界附近的电子耗尽区使绿光发射减弱甚至消失。ZnO薄膜表面的V型缺陷作为光学通道,使近带边发射穿过ZnO层时不被空间激子层吸收,而异质结、超晶格、量子阱中的界面对ZnO的发光性能则具有更重要的影响。     

Janus型二维磁电材料CrXX’(X/X’=S,Se,Te)第一性原理研究

自石墨烯被发现以来,各种具有新奇特性的二维材料受到了越来越多的关注。Janus型二维材料具有不对称的表面特性,这种特殊的结构往往具有独特的电学、磁学与光学性质,使其成为近年来材料科学领域研究的热点。本文搭建了Janus型结构CrXX’(X/X’=S,Se,Te)(CrSSe, CrSTe, CrSeTe),研究了体系的电学、磁学、光学性质,并探究了双轴应变对其电学、磁学、光学性质的影响。结果表明,CrSSe、CrSTe与CrSeTe均呈现金属性,都是电子的优良导体,三种体系的电子结构对外加应变具有很好的鲁棒性。CrXX’(X/X’=S,Se,Te)具有本征铁磁性,并且通过施加双轴应变可对其磁矩进行调控。此外,三种体系均具有较高的居里温度,特别是CrSTe的居里温度可达310 K。CrXX’(X/X’=S,Se,Te)还具有优异的可见光与紫外光吸收性能,应变可对其光吸收系数进行调控,并且压应变与拉应变可分别使其吸收谱线向短波与长波方向移动。本文的工作为进一步研究二维Janus单层CrXX’(X/X’=S,Se,Te)在新型室温自旋电子器件领域的应用提供了理论支持。     

背接触势垒对a-Si∶H/c-Si异质结太阳电池性能的影响

由载流子输运理论推出a-Si∶ H/c-Si异质结太阳电池的背接触势垒是其J-V曲线出现S-shape现象的原因之一,此时电池内部存在两个串联反偏的二极管,阻碍载流子输运.通过模拟计算验证该结论,发现硅基异质结太阳电池背接触产生的肖特基势垒高度存在最大临界值,高于此值则电池的开路电压、填充因子和转换效率会急剧衰减,而短路电流密度基本不变.     

ZnO/Ag球形异质结复合材料的制备及其吸光性能研究

采用水热法制备出球形ZnO颗粒,用微波辅助多元醇法对其表面进行修饰后得到ZnO/Ag异质结复合材料.利用X射线衍射仪、扫描电子显微镜、透射电子显微镜对样品的结构和形貌进行表征,用紫外-可见光谱分析了样品的吸光性能.结果显示:所制备的ZnO/Ag异质结是由面心立方的Ag纳米颗粒附着在纤锌矿结构的ZnO球表面形成的;与ZnO相比,ZnO/Ag异质结的紫外可见光吸收光谱发生明显红移,在紫外和可见光范围均有较强的吸收.     

Pt/Hg3In2Te6接触的温度特性研究

运用直流平面磁控溅射技术在Hg3In2Te6单晶表面制备Pt金属电极,形成Pt/Hg3In2Te6接触,采用I-V测试仪在120~260 K温度范围内对其I-V特性进行测量.根据热电子发射模型,计算得到了Pt/Hg3In2Te6的肖特基势垒高度.结果表明:Pt/Hg3In2Te6形成具有整流特性的肖特基接触,肖特基势垒高度为0.46 eV.在120~260 K温度范围内,理想因子随温度增大逐渐从2.93减小至1.42.将Hg3In2Te6单晶制成红外探测器,发现了响应光谱在波长1.55 μm处峰值达到最大,在室温下峰值探测率D* 达到了1011 cm·Hz1/2·W-1.     

Electrode effects on the electrical properties of chalcogenide films

The effect of Al, Ag and Cr metal electrodes on the electrical properties of CeSeTe films was studied. The relative ease of the diffusion of metallic atoms and the accompanied tendency to nucleation leads to irreversible changes of the film resistivity while annealing. The recrystallization temperature of the chalcogenide film depends strongly on the type of the metal electrode. The observed increase in the values of resistivity after annealing, was interpreted on the basis of charged dangling bond theory.     

Study of As―Se―Te glasses by neutron-, X-ray diffraction and optical spectroscopic methods

The atomic structures of amorphous As₄₀Se_(60?x)Te_x (x = 10 and 15) and As₄₀Se₆₀ glasses have been investigated by neutron and high energy X-ray diffraction methods. The two datasets were modeled simultaneously by reverse Monte Carlo (RMC) simulation technique. The RMC simulations revealed a glassy network built-up from As(Se, Te)₃ pyramids in which Te atoms substitute Se atoms. The As―Se correlation function shows a strong and sharp first peak at 2.4 Å and two broad and much less intense peaks at 3.7 and 5.6 Å, related to 1st, 2nd and 3rd neighbor distances of the As―Se bonds, respectively. They are an evidence for existence of short and medium ordering in the studied glasses. The similarity of Θ_Te―As―Te and Θ_Se―As―Se bond distributions suggests that Te atoms have a similar role in the structure formation as Se atoms. The FTIR spectra analysis revealed impurity bonds of Se―H, As―O, Se―O, and Te―O in the glasses which contributed to enhanced absorption in visible spectral range. From the ellipsometric data analysis the optical constants and the energetic parameters of the studied glasses were established. The compositional variation of these parameters is explained in terms of chemical bonds formation and change in the density of charged defects.     

Analysis of current ‐ voltage ‐ temperature characteristics of In and Cu contacts on n‐type MoSe2 single crystals

The current voltage characteristics of In / Cu with n‐type MoSe₂ Schottky diodes were measured over a wide temperature range 50 < T < 300 K. The interface formed by In and MoSe₂ shows ohmic behavior after annealing the contact at 100 °C for 12 h. The ohmic nature was retained at all the measured temperatures. The Cu ‐ nMoSe2 interface formed a Schottky junction diode with a good rectification ratio. The Schottky barrier height and the ideality factor thereby obtained were 0.72 eV and 1.45, respectively, at room temperature. Below room temperature, the barrier height and the ideality factor vary with decreasing temperature. The changes are significant at low temperatures. Barrier height inhomogeneities at the interface cause deviation in the zero‐bias barrier height and the ideality factor at low temperatures, and produce extra current such that I‐V characteristics remain consistent with the thermionic emission mechanism. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

氩气退火时间对Fe(Se,Te)薄膜的性能影响研究

作为一种铁基超导薄膜,Fe(Se,Te)薄膜具有晶体结构简单、所包含的元素较少、易于合成的特点,不仅有利于超导机理研究而且有着潜在的技术应用价值。本文通过磁控溅射在温度为320 ℃的CaF₂单晶衬底上制备了Fe(Se,Te)薄膜,并在氩气氛围下进行了退火处理。研究了退火时间对Fe(Se,Te)薄膜的晶体结构、微观形貌、成分组成以及电输运特性的影响。结果表明:Fe(Se,Te)薄膜的结晶性较好,退火有助于消除薄膜样品中的FeSe相,薄膜的晶格常数c对退火不敏感,退火后薄膜晶粒尺寸变大;Fe(Se,Te)薄膜成分与靶材的名义组分存在一定的偏差,退火时间越长,Fe(Se,Te)薄膜表面的颗粒越密集;Fe(Se,Te)薄膜的电阻随温度升高而减小,呈现出半导体特性,退火3 h后电阻明显增大。     

Nanocrystalline Pr-doped ZnO insulator for metal–insulator–Si Schottky diodes

Pr-doped ZnO (ZnO:Pr) insulating thin films were prepared on glass and Si substrates by oxidation in air. The films were characterised by X-ray diffraction (XRD), energy dispersion X-ray fluorescence (EDXRF), and optical absorption spectroscopy. The molar ratio Pr/Zn of the samples was determined by the EDXRF method. The XRD study shows the formation of nanocrystalline (26–50 nm) nc-Pr-doped ZnO. The optical and electrical conduction were explained by a slight change of stoichiometric composition. The nc-ZnO:Pr/Si heterojunctions are being Schottky barrier diodes (SBDs) and exhibited high rectification behaviour. The parameters describe the current pass through those SBDs were determined according to the available models.     

Ti/Au复合电极在CdZnTe (111)B面上的表面结构与性能研究

近年来,碲锌镉(CdZnTe)材料制成的探测器已经成为研究热点,适当的接触特性已经成为提高探测器性能的关键问题。本文主要探讨了弱n型CdZnTe晶体(111)B面Ti/Au复合电极的欧姆接触性能,采用两步沉积工艺制备Ti/Au复合电极。通过AFM、FIB/TEM、XPS、I-V等测试方法研究了电极与CdZnTe的界面结构、化学成分和电学性能。结果表明,Ti过渡层的引入可以减轻和改善晶片抛光过程中形成的损伤层,增加了电极与晶体之间的欧姆特性。相比于CdZnTe (111)B面上的Cr/Au复合电极,Ti/Au复合电极的粗糙度更低、接触界面更平整,晶格失配层厚度也更低。Ti中间层促进了金/半界面的互扩散现象, 有利于增加黏附性和降低肖特基势垒,并且在Ti/Au复合电极与CdZnTe接触的界面上没有观察到氧元素的存在。I-V测试表明Ti/Au复合电极具有更加良好的欧姆特性和更低的肖特基势垒。     

On doubts about Mott–Schottky plot of organic planar heterojunction in photovoltaic cell

The work presents small signal spectra of complex capacitance obtained on an organic photovoltaic cell with a heterojunction formed from di-(pyridyl)-perylenetetracarboxylic diimide and bromophosphorus phthalocyanine in the 25 Hz–1 MHz frequency range. The real part of capacitance is also presented in the Mott–Schottky plot at various frequency values. It is shown that although an organic heterojunction in a photovoltaic cell can lead to a straight line in the Mott–Schottky plot the parameters obtained in this way cannot be treated as unique since, unlike semiconductor devices, they depend on frequency.