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The Chadi total energy algorithm for determining surface geometries 确定表面几何形状的Chadi总能量算法
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90191-6
P.V. Smith

The Chadi total energy minimization technique is probably the simplest, physically realistic approach for determining the surface geometries of solids and has proved highly successful in predicting the surface relaxation and reconstruction of a wide variety of covalent solids. One of the basic assumptions of this method has been that the tight-binding parameters, which describe the dependence of the electronic energy of the system upon the surface configuration of atoms, simply vary as the inverse square of the appropriate interatomic distance. More recent work, however, has shown that there are now strong grounds for doubting the validity of this 1/d2 approximation, and has suggested that a better representation of the spatial dependence of the LCAO model Hamiltonian parameters might be obtained from self-consistent bandstructure calculations performed at different lattice constants. The purpose of this paper is to assess the relative merit of these two alternative models by employing them in a direct determination of some of the lattice dynamical properties of silicon, and to discuss the implications of the results of these calculations for surface structure analyses within the Chadi formalism.

Chadi总能量最小化技术可能是确定固体表面几何形状的最简单,物理上最现实的方法,并且在预测各种共价固体的表面松弛和重建方面非常成功。这种方法的一个基本假设是,描述系统的电子能量与原子表面构型的依赖关系的紧密结合参数,只是随着适当的原子间距离的平方成反比而变化。然而,最近的研究表明,现在有充分的理由怀疑这种1/d2近似的有效性,并提出,在不同晶格常数下进行的自洽带结构计算可能会更好地表示LCAO模型哈密顿参数的空间依赖性。本文的目的是通过直接确定硅的一些晶格动力学特性来评估这两种替代模型的相对优点,并讨论这些计算结果对Chadi形式下表面结构分析的影响。
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引用次数: 3
Hall mobility and field effect mobility studies on PbTe HWE thin films PbTe HWE薄膜的霍尔迁移率和场效应迁移率研究
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90206-5
P.R. Vaya , J. Majhi , B.S.V. Gopalam , C. Dattatreyan

Hall mobility (μH) and field effect mobility (μFE) studies were carried out on PbTe films of different thickness grown on KCl (100) substrates by the hot wall epitaxy (HWE) technique. The Hall mobility was obtained using the standard Van der Pauw technique. The diffused scattering mobility, μD, due to size effect was calculated and compared with μH. A large discrepancy between μH and μD was explained on the basis of a residual mobility contribution which was attributed to the scattering due to grain boundaries, dislocations, cleavage steps and other surface effects. For AC field effect studies an MIS structure with a thin mica spacer between the film surface and metal electrode was used. The field effect mobility, μFE, was obtained at different temperatures from 98 to 156 K in the frequency range of 40 to 200 kHz. The variation of μFE with frequency was found to be largely due to the relaxation of fast surface states having time constants from 1.84 to 0.96 μs in the above temperature range. The activation energy and capture cross-section of these surface states were calculated to be 0.02 eV and 10−19 cm2 respectively. Unlike the Hall mobility, the effective DC field effect mobility derived from the experimental results was found to be independent of film thickness.

采用热壁外延(HWE)技术对KCl(100)衬底上不同厚度的PbTe薄膜的霍尔迁移率(μH)和场效应迁移率(μFE)进行了研究。采用标准的范德保技术获得了霍尔迁移率。计算了由于尺寸效应引起的扩散散射迁移率μD,并与μH进行了比较。μH和μD之间存在较大差异的原因是由于晶界、位错、解理步骤和其他表面效应引起的散射导致了残余迁移率的贡献。对于交流电场效应的研究,采用了一种MIS结构,在薄膜表面和金属电极之间有一层薄云母间隔层。在温度为98 ~ 156 K,频率为40 ~ 200 kHz的范围内,获得了不同温度下的场效应迁移率μFE。μFE随频率的变化主要是由于在上述温度范围内具有时间常数为1.84 ~ 0.96 μs的快表面态的弛豫。这些表面态的活化能和俘获截面分别为0.02 eV和10−19 cm2。与霍尔迁移率不同,由实验结果得出的有效直流场效应迁移率与薄膜厚度无关。
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引用次数: 1
Topics in ultraviolet inverse photoemission 紫外光逆发射的主题
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90066-2
V. Dose

Ultraviolet inverse photoemission is an exciting new technique for band mapping of empty electronic states in solids and at surfaces. It includes the energy region between the Fermi and the vacuum level inaccessible by ordinary photoemission. Applications discussed in this paper include band mapping in nickel, spin-resolved studies of iron, and chemisorption of NO and CO on palladium.

紫外逆发射是一种令人兴奋的新技术,用于固体和表面的空电子态的能带映射。它包括费米能级和真空能级之间的能量区域,这是普通光发射无法达到的。本文讨论的应用包括镍的能带映射、铁的自旋分解研究以及NO和CO在钯上的化学吸附。
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引用次数: 2
Detection of multiple species through isosbestic points in UV-photoemission spectra: Application to sulfide adsorption on copper 利用紫外光发射光谱等吸点检测多种物质:在铜上硫化物吸附中的应用
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90065-0
S.E. Anderson , G.L. Nyberg

When the spectra corresponding to successively greater adsorbate coverages are superimposed, there is often a singular point through which they all pass. This is recognized as an isosbestic point, which is shown should be present whenever there is only a single adsorbate overlying the substrate. The lack of such a point consequently indicates the existence of multiple adsorbate species. These criteria are applied to the adsorption of O2, H2S and benzenethiol on Cu(410). For H2S, two species are detected and assigned to surface and incorporated sulfur.

当相对应的连续较大的吸附质覆盖的光谱叠加时,通常有一个奇异点,它们都通过。这被认为是一个等吸点,当只有一种吸附物覆盖在底物上时,它就会出现。因此,缺少这一点表明存在多种吸附质。这些准则适用于Cu(410)对O2、H2S和苯硫醇的吸附。对于硫化氢,检测到两种硫化氢并将其分配到表面并结合硫。
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引用次数: 1
Field effect studies on MIS structures of n-type Pb0.8Sn0.2Te thin films n型Pb0.8Sn0.2Te薄膜MIS结构的场效应研究
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90211-9
A.L. Dawar , K.V. Ferdinand, C. Jagadish, anil Kumar , Partap Kumar, P.C. Mathur

DC conductivity and Hall coefficient studies were made on MIS structures of n-type Pb0.8Sn0.2Te thin films grown by a flash evaporation technique in the temperature range 77–400 K. The decrease in RH with positive gate field and increase in RH with negative gate field have been attributed to the accumulation and depletion of charge carriers due to bending of bands. Mobility-temperature data have been analyzed in terms of various scattering mechanisms.

在77 ~ 400 K的温度范围内,研究了用闪蒸法生长的n型Pb0.8Sn0.2Te薄膜的直流电导率和霍尔系数。正栅场下相对湿度的降低和负栅场下相对湿度的增加是由于能带弯曲导致载流子的积累和损耗。从各种散射机制的角度分析了迁移率-温度数据。
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引用次数: 0
Recent progress of amorphous silicon technology and its application to optoelectronic devices 非晶硅技术及其在光电器件中的应用进展
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90219-3
Yoshihiro Hamakawa

A review is given on recent progress in tetrahedrally-bonded amorphous semiconductors and their technological applications to optoelectronic devices. First, some significant advantages of these materials are pointed out, and tangible instances are demonstrated from current technological topics. The present state of the art in optoelectronic device development with this new kind of thin film is then reviewed, and the technical data are summarized and discussed.

综述了近年来四面体键合非晶半导体的研究进展及其在光电器件中的应用。首先,指出了这些材料的一些显著优点,并从当前的技术课题中举出了具体的例子。然后回顾了利用这种新型薄膜开发光电器件的现状,并对技术数据进行了总结和讨论。
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引用次数: 6
Properties of ultrathin metallic films on Si(111) determined by high-resolution electron energy loss spectroscopy 用高分辨率电子能量损失谱法测定Si(111)上超薄金属薄膜的性质
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90073-X
J.E Demuth, B.N.J Persson

UV photoemission, low energy electron diffraction and high-resolution electron energy loss spectroscopy (EELS) have been used in situ to study the nature of 1–25 Å of Au and Pd deposited on Si(111) at temperatures of 20 and 300 K. New information is obtained regarding the formation, nature and microstructure of these metallic layers. We describe and apply a theoretical analysis of EELS which allows the determination of DC transport properties in these ultrathin layers. All metallic layers exhibit significantly higher resistivities than expected in comparison to bulk metal silicides or metallic glass phases, and can be attributed to diffuse scattering of conduction electrons at the interface. The interaction and behavior of atomic hydrogen with these films as detected by EELS is also described and found to convey additional information about their microstructure.

利用紫外光发射、低能电子衍射和高分辨率电子能量损失谱(EELS)原位研究了在20和300 K温度下沉积在Si(111)上的Au和Pd的1-25 Å性质。获得了有关这些金属层的形成、性质和微观结构的新信息。我们描述并应用了EELS的理论分析,可以确定这些超薄层中的直流输运特性。与大块金属硅化物或金属玻璃相相比,所有金属层都表现出比预期更高的电阻率,这可以归因于界面上传导电子的扩散散射。原子氢与这些薄膜的相互作用和行为也被描述为EELS检测,并发现传递有关其微观结构的附加信息。
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引用次数: 0
Structure of silicon oxide films prepared by vacuum deposition 真空沉积制备氧化硅薄膜的结构
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90193-X
Yoshio Saito, Chihiro Kaito, Kenzo Nishio, Toshio Naiki

The structure of thin silicon oxide films 5 nm in thickness, which were prepared by electron beam evaporation of SiO2 glass onto a NaCl substrate, has been examined by high resolution electron microscopy and diffraction. Although the films which were prepared with substrate temperatures ranging from room up to 400°C gave rise to amorphous haloes, lattice fringes in areas 1–2 nm in extent were, however, seen in the micrographs. It is shown that the film is composed of α-quartz micro-crystallites. Crystals of α-cristobalite with sizes of several tens of nanometers appeared at a substrate temperature of 500°C. At a substrate temperature of 600°C, β-cristobalite crystals with sizes of several tens of nanometers appeared. The structural changes due to the substrate temperature were attributed to incorporation of sodium atoms from the substrate into the SiO2 film.

采用电子束蒸发法在NaCl衬底上制备了厚度为5 nm的氧化硅薄膜,并用高分辨电子显微镜和衍射仪对其结构进行了研究。虽然在室温至400℃的衬底温度下制备的薄膜会产生无定形光晕,但在显微照片中可以看到1-2 nm范围内的晶格条纹。结果表明,该薄膜由α-石英微晶组成。在500℃的衬底温度下,α-方石英出现了几十纳米大小的晶体。在600℃的衬底温度下,出现了几十纳米大小的β-方石英晶体。由于衬底温度引起的结构变化归因于衬底中的钠原子掺入SiO2薄膜。
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引用次数: 7
The electrical and optical properties of LiAlxB1−x thin films LiAlxB1−x薄膜的电学和光学性质
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90215-6
Hiroshi Kezuka, Makio Akimoto, Yotaro Taguchi, Kokuya Iwamura, Tomomo Masaki

The electrical and optical properties of LiAlxB1−x thin films deposited at 350°C by the Sandwich-Type Evaporation Method are measured. These films are metallic with a resistivity of (1–4) × 105 ohm cm at room temperature. In addition, we have developed a unique method. named the Brewster Angle Method (BAM), for obtaining the optical constants of thin films for LiAlxB1−x. In this method reflection coefficients are measured on the surface of thin films at any angle of incidence using a HeNe laser beam. The optical constants are calculated from the Brewster angle, φB, at the minimum value of reflection coefficient |RB|min. For a typical LiAlxB1−x film the optical constants are n = 1.42 − j0.31 and the complex dielectric constants are ϵ = 1.94 − j0.87.

用夹层蒸发法测定了350℃下沉积的LiAlxB1−x薄膜的电学和光学性能。这些薄膜是金属的,在室温下电阻率为(1-4)× 105欧姆厘米。此外,我们还开发了一种独特的方法。命名为布鲁斯特角法(BAM),用于获得LiAlxB1−x薄膜的光学常数。在该方法中,利用He氖激光束在薄膜表面以任意入射角测量反射系数。光学常数由反射系数|RB|min最小值处的布鲁斯特角φB计算。对于典型的LiAlxB1−x薄膜,其光学常数为n = 1.42−j0.31,复介电常数为ε = 1.94−j0.87。
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引用次数: 1
MEED study of some crystalline surfaces 某些晶体表面的MEED研究
Pub Date : 1985-05-01 DOI: 10.1016/0378-5963(85)90036-4
G. Shimaoka

A new medium energy electron diffraction (MEED) system, which can observe both back scattering (BSMEED) and forward scattering (RMEED) patterns from the same surface of crystalline solids has been designed. Results obtained from MgO(001) and GaAs(001) indicate that MEED has the following favourable characteristics: (1) Unlike LEED, post-acceleration of the diffracted beam with a grid is not necessary for MEED. The diffraction pattern can be seen directly on a fluorescent screen. (2) Collimation and focusing of the incident beam are readily achieved and sharp diffraction spots are observed. (3) Unlike RHEED, a strictly flat surface is not necessary for MEED. Relatively rough, but clean surfaces can produce diffraction patterns. (4) From Kikuchi lines or bands it is possible to determine the precise orientation of the crystal surface. (5) By changing the energy of the incident beam it is possible to observe the surface layer both in two and three dimensions.

设计了一种新型中能电子衍射(MEED)系统,该系统可以同时观测固体晶体同一表面的后向散射(BSMEED)和前向散射(RMEED)。从MgO(001)和GaAs(001)得到的结果表明,MEED具有以下有利特征:(1)与LEED不同,MEED不需要带网格的衍射光束的后加速。衍射图样可以直接在荧光屏上看到。(2)入射光束的准直和聚焦很容易实现,并观察到尖锐的衍射斑点。(3)与RHEED不同,MEED不需要严格平坦的表面。相对粗糙但干净的表面可以产生衍射图案。(4)从菊池线或带可以确定晶体表面的精确方向。(5)通过改变入射光束的能量,可以在二维和三维上观察到表层。
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引用次数: 0
期刊
Applications of Surface Science
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