Fermi Level Unpinning and Schottky Barrier Modification by Ti, Sc and V Incorporation at NiSi2/Si Interface

A new method is proposed to modify the Schottky barrier height （SBH） for nickel silicide/Si contact. Chemical and electrical properties for NiSi2/Si interface with titanium, scandium and vanadium incorporation are investigated by first-principles calculations. The metal/semiconductor interface states within the gap region are greatly decreased, which is related to the diminutions of junction leakage when Ti-cap is experimentally used in nickel silicide/Si contact process. It leads to an unpinning metal/semiconductor interface. The SBH obeys the Schottky-Mort theory. Compared to Ti substitution, the SBH for electrons is reduced for scandium and increases for vanadium.     

低覆盖度的Au/GaN(0001)界面的同步辐射研究

利用同步辐射光电子能谱研究了低覆盖度Au在GaN(0001)表面的初始生长模式,肖特基势垒高 度以及界面的电子结构.结果表明，Au沉积初始阶段有界面的化学反应,随后呈三维岛状生长 .由光电子能谱实验确定的肖特基势垒高度为14 eV. 通过对界面价带谱和Au 4f芯能级谱 的分析,确定了界面化学反应的存在.利用线性缀加平面波方法计算了GaN(0001)和Au的价带 态密度并分析了化学反应产生的机理,认为在初始阶段界面形成了Au_Ga合金. 关键词： 同步辐射 光电子能谱 Au/GaN欧姆接触 态密度     

石墨烯过渡层对金属/SiC接触肖特基势垒调控的第一性原理研究

由于SiC禁带宽度大,在金属/SiC接触界面难以形成较低的势垒,制备良好的欧姆接触是目前SiC器件研制中的关键技术难题,因此,研究如何降低金属/SiC接触界面的肖特基势垒高度(SBH)非常重要.本文基于密度泛函理论的第一性原理赝势平面波方法,结合平均静电势和局域态密度计算方法,研究了石墨烯作为过渡层对不同金属(Ag,Ti,Cu,Pd,Ni,Pt)/SiC接触的SBH的影响.计算结果表明,单层石墨烯可使金属/SiC接触的SBH降低;当石墨烯为2层时,SBH进一步降低且Ni,Ti接触体系的SBH呈现负值,说明接触界面形成了良好的欧姆接触;当石墨烯层数继续增加,SBH不再有明显变化.通过分析接触界面的差分电荷密度以及局域态密度,SBH降低的机理可能主要是石墨烯C原子饱和了SiC表面的悬挂键并降低了金属诱生能隙态对界面的影响,并且接触界面的石墨烯及其与金属相互作用形成的混合相具有较低的功函数.此外,SiC/石墨烯界面形成的电偶极层也可能有助于势垒降低.     

石墨烯过渡层对金属/SiC接触肖特基势垒调控的第一性原理研究

由于SiC禁带宽度大,在金属/SiC接触界面难以形成较低的势垒,制备良好的欧姆接触是目前SiC器件研制中的关键技术难题,因此,研究如何降低金属/SiC接触界面的肖特基势垒高度(SBH)非常重要.本文基于密度泛函理论的第一性原理赝势平面波方法,结合平均静电势和局域态密度计算方法,研究了石墨烯作为过渡层对不同金属(Ag,Ti,Cu,Pd,Ni,Pt)/SiC接触的SBH的影响.计算结果表明,单层石墨烯可使金属/SiC接触的SBH降低;当石墨烯为2层时,SBH进一步降低且Ni,Ti接触体系的SBH呈现负值,说明接触界面形成了良好的欧姆接触;当石墨烯层数继续增加,SBH不再有明显变化.通过分析接触界面的差分电荷密度以及局域态密度,SBH降低的机理可能主要是石墨烯C原子饱和了SiC表面的悬挂键并降低了金属诱生能隙态对界面的影响,并且接触界面的石墨烯及其与金属相互作用形成的混合相具有较低的功函数.此外,SiC/石墨烯界面形成的电偶极层也可能有助于势垒降低.     

Nonideality of Au/Si and Au/GaAs Schottky barriers due to process-induced defects

A mechanism of local lowering of the Schottky barrier height (SBH) is proposed, which causes nonideality in nearly ideal Au/n-Si and Au/n-GaAs Schottky barriers. Positively ionized defects generated by the process very close to the interface induce electrons in the metal-induced gap states (MIGS) and lower the SBH locally. The spatial density distribution of the ionized defects obtained from the SBH distribution is determined by the unique interaction with the MIGS. The defects are considered to have the negative-U property and are neutralized at very close positions to the MIGS. The potential distributions close to the interface have a considerable potential drop due to the large defect density. These inhomogeneous potentials are coincident with the energy level scheme of the defect identified as the defect causing the nonideality. This defect is Si self-interstitial in Au/Si SB, and As antisite in Au/n-GaAs SB. This MIGS with process-induced defect model supersedes the previously proposed two major Fermi level pinning models. The mystery of the T₀ effect is solved. The thermionic-field emission current taking place in the strong electric field has influence on the I-V characteristics at low temperatures. Regarding the C-V characteristics of Au/Si SB, the observed extra capacitance under the forward bias is an experimental evidence in accordance with the proposed model.     

Schottky Barrier Formation at a Carbon Nanotube-Scandium Junction

Recent experiment shows that scandium （Sc） can make a good performance contact with carbon nanotubes （CNTs） to fabricate n-type field effect transistor （n-FET）. We study the Schottky barrier （SB） of scandium （Sc） and palladium （Pd） with a （8,0） single-wall CNT （SWCNT） using first-principles calculation. It is found that the p-type SB height （SBH） of the Pd-CNT contact is about 0.34 eV, which is in good agreement with the experimental data. For the Sc-CNT contact, an n-type contact is formed and the SBH is about O.08eV in agreement with the experimental observations. Our calculation demonstrates that by contacting CNT with Pd and Sc, p-FET and n-FET can be fabricated, respectively. The dipole effect at the interface is used to explain our result.     

Identity of defect causing nonideality in nearly ideal Au/n-Si Schottky barriers

We have proposed a mechanism of nonideality, i.e., the temperature dependence of the ideality factor, in nearly ideal Au/n-Si Schottky barriers. Because of the nature of metal-induced gap states, positively ionized defects close to the interface are considered to cause local lowering of the Schottky barrier height (SBH) due to downward bending of the energy band. These positively charged defects become neutralized in equilibrium with the Fermi level due to the band bending, when they are very close to the interface. However, because the SBH lowering disappears by the neutralization of donor, the energy level of donor with a usual energy level scheme rises above the Fermi level after the neutralization. This contradiction to the equilibrium neutralization is resolved by Si self-interstitial with a large negative-U property, which is generated by the fabrication process. The energy level of the donor estimated from the SBH lowering is in good agreement with that of theoretical calculation of Si self-interstitial. Thus, the defect is concluded to be the Si self-interstitial, which is distributed to more than 10 Å depth from the interface.     

Barrier lowering and leakage current reduction in Ni-AlGaN/GaN Schottky diodes with an oxygen-treated GaN cap layer

We report on the effect of oxygen annealing for GaN surface on the Schottky barrier configuration and leakage current in Ni-AlGaN/GaN Schottky barrier diodes. After oxygen annealing, their turn-on voltage and reverse-bias leakage current characteristics are significantly improved due to a reduction in the Schottky barrier height (SBH) and suppression in the surface states respectively. Interface state density extracted from the Terman method was reduced by 2 orders of magnitude. X-ray photoelectron spectroscopy measurements show that the oxygen annealing induces Ga₂O₃ on the GaN surface. The formation of Ga₂O₃ reduces the interface state density as well as lowers the SBH through the modification of hybridized metal induced gap states.     

Investigation on the barrier height and inhomogeneity of nickel silicide Schottky

The apparent Schottky barrier height (SBH) of the nickel silicide Schottky contacts annealed at different temperatures was investigated based on temperature dependence of I-V characteristic. Thermionic emission-diffusion (TED) theory, single Gaussian and double Gaussian models were employed to fit I-V experimental data. It is found the single Gaussian and double Gaussian SB distribution model can give a very good fit to the I-V characteristic of apparent SBH for different annealing temperatures. Also, the apparent SBH and the leakage current increase with annealing temperatures under reverse voltage. In addition, the homogeneity of interfaces for the samples annealed at temperatures of 500 and 600 °C is much better than that of the samples annealed at temperatures of 400, 700, and 800 °C. This may result from the phase transformation of nickel silicide due to the different annealing temperatures and from the low Schottky barrier (SB) patches.     

A new photoluminescence emission peak of ZnO-SiO2 nanocomposites and its energy transfer to Eu ions

This work reports a new photoluminescence (PL) emission peak at about 402 nm from amorphous ZnO nanoparticles in a silica matrix, and the energy transfer from it to Eu³⁺ ions. The amorphous ZnO-SiO₂ nanocomposites were prepared by the sol-gel method, which is verified by X-ray diffraction (XRD) profiles and FT-IR spectra. The luminescence emission spectra are fitted by four Gauss profiles, two of which at longer wavelength are due to the defects of the material and the others to amorphous ZnO nanoparticles and the Zn-O-Si interface state. With the reduction of Zn/Si ratio and diethanolamine, the relative intensities of visible emission decrease. The weak visible emission is due to the reduction of defects after calcined at high temperature. The new energy state at the Zn-O-Si interface results in strong emission at about 402 nm. When Eu³⁺ ions are co-doped, weak energy transfer from ZnO-SiO₂ nanocomposites to Eu³⁺ emission are observed in the excitation spectra.     

零偏退火与反偏退火对含氢的Au／n—Si肖特基势垒的控制

＜１１１＞晶向的掺磷的ｎ型硅外延片经等离子进氢后连同未经等离子氢处理的对比片一起淀积金，制得Ａｕ／ｎ－Ｓｉ肖特基势垒，实验结果表明：氢能使Ａｕ／ｎ－Ｓｉ的肖特基势垒高度下降０．１３ｅＶ；含氢的肖特基势垒的高度可以被零偏退火与反偏退火所控制，即零偏退火使含氢的肖特基势垒的高度降低，而反偏退火使含氢的肖特基势垒的高度升高；而且零偏退火与反偏退火对肖特基势垒高的这种控制作用至少在三个循环过程中是可逆的。     

零偏退火与反偏退火对含氢的Au/n-Si肖特基势垒的控制

〈１１１〉晶向的掺磷的ｎ型硅外延片经等离子进氢后连同未经等离子氢处理的对比片一起淀积金，制得Ａｕ／ｎ－Ｓｉ肖特基势垒。实验结果表明：氢能使Ａｕ／ｎ－Ｓｉ的肖特基势垒高度下降０．１３ｅＶ；含氢的肖特基势垒的高度可以被零偏退火与反偏退火所控制，即零偏退火使含氢的肖特基势垒的高度降低，而反偏退火使含氢的肖特基势垒的高度升高；而且零偏退火与反偏退火对肖特基势垒高的这种控制作用至少在三个循环过程中是可逆的。在反偏退火以后，含氢的肖特基势垒的高度升高的数值不仅与退火时所应用的偏置电压有关，而且与退火温度也有关。     

Dilatometric and electrochemical studies on hydrogen transport through RuO2 coated on palladium

Combined electrochemical and dilatometry measurements were used to characterize the transport of hydrogen through thin RuO₂ layers coated on palladium wire electrodes. Hydrogen dissolved in aqueous solutions penetrated through the oxide in a pH-dependent mechanism that combined diffusion of molecular hydrogen and pH-dependent proton hopping through redox sites within the oxide lattice. When cathodically charged, hydrogen was generated and absorbed at the oxide-solution interface only after Ru (IV) reduction occurs, and then, transported into the metal.     

Interfaces analysis of the HfO2/SiO2/Si structure

The physical and chemical properties of the HfO₂/SiO₂/Si stack have been analyzed using cross-section HR TEM, XPS, IR-spectroscopy and ellipsometry. HfO₂ films were deposited by the MO CVD method using as precursors the tetrakis 2,2,6,6 tetramethyl-3,5 heptanedionate hafnium—Hf(dpm)₄ and dicyclopentadienil-hafnium-bis-diethylamide—Сp₂Hf(N(C₂H₅)₂)₂.The amorphous interface layer (IL) between HfO₂ and silicon native oxide has been observed by the HRTEM method. The interface layer comprises hafnium silicate with a smooth varying of chemical composition through the IL thickness. The interface layer formation occurs both during HfO₂ synthesis, and at the annealing of the HfO₂/SiO₂/Si stack. It was concluded from the XPS, and the IR-spectroscopy that the hafnium silicate formation occurs via a solid-state reaction at the HfO₂/SiO₂ interface, and its chemical structure depends on the thickness of the SiO₂ underlayer.     

Performance assessment of nanoscale Schottky MOSFET as resonant tunnelling device: Non-equilibrium Green’s function formalism

A comprehensive study is performed on the electrical characteristics of Schottky barrier MOSFET (SBMOSFET) in nanoscale regime, by employing the non-equilibrium Green’s function (NEGF) approach. Quantum confinement results in the enhancement of effective Schottky barrier height (SBH). High enough Schottky barriers at the source/drain and the channel form a double barrier profile along the channel that results in the formation of resonance states. We have, for the first time, proposed a resonant tunnelling device based on SBMOSFET in which multiple resonance states are modulated by the gate voltage. Role of essential factors such as temperature, SBH, bias voltage and structural parameters on the feasibility of this device for silicon-based resonant tunnelling applications are extensively studied. Resonant tunnelling appears at low temperatures and low drain voltages and as a result negative differential resistance (NDR) is apparent in the transfer characteristic. Scaling down the gate length to 6 nm increases the peak-to-valley ratio (PVR) of the drain current. As the effective SBH reduces, the curvature of the double barrier profile is gradually diminished. Therefore, multiple resonant states are contributed to the current and consequently resonant tunnelling is smoothed out.     

Spin modes and layer magnetization for surface and impurity layer embedded in a ferromagnet

A theoretical study is made for the role of an impurity layer embedded within a semi-infinite ferromagnet in determining the spectra of (0 0 1) surface spin waves and the layer magnetization for the surface and impurity layer. The calculations are described using simultaneously a closed form of the spin-wave Green's function and the matching procedure in the random-phase approximation. Analytic expressions for the Green's functions are also derived in a low-temperature spin-wave approximation. The theoretical approach determines the bulk and evanescent spin fluctuation fields in the two-dimensional plane normal to the surface. The results are used to calculate the energies of localized modes associated with the impurity layer as well as with the surface. Numerical examples of the modes are given and they are found to exhibit various effects due to the interplay between the impurity layer and surface modes. The results derived from the dynamic correlation functions between a pair of spin operators at any two sites are employed to evaluate the spin deviation in the ferromagnet due to the localized modes associated with the surface and with the impurity layer obtained by means of the matching procedure. The correlation functions and the layer magnetization are then illustrated as function of the impurity layer distance from the surface for a given temperature.     

高迁移率Ge沟道器件研究进展

高迁移率Ge沟道器件由于其较高而且更对称的载流子迁移率, 成为未来互补型金属-氧化物-半导体(CMOS) 器件极有潜力的候选材料. 然而, 对于Ge基MOS器件, 其栅、源漏方面面临的挑战严重影响了Ge基MOS 器件性能的提升, 尤其是Ge NMOS器件. 本文重点分析了Ge基器件在栅、源漏方面面临的问题, 综述了国内外研究者们提出的不同解决方案, 在此基础上提出了新的技术方案. 研究结果为Ge基MOS 器件性能的进一步提升奠定了基础.     

Two-channel waveguide modulator based on surface wave propagating in a semiconductor-metal thin-film structure

The results of theoretical investigations of two-channel waveguide modulator based on Surface Wave (SW) propagation are presented. The structure studied consists of twon-type semiconductor waveguide channels separated from each other by a dielectric gap and coated by a metal. The SW propagates at the semiconductormetal interface across an external magnetic field which is parallel to the interface. An external de voltage is applied to the metal surface of one channel to provide a small phase shift between two propagating modes. In a coupled mode approximation, two possible regimes of operation of the structure, namely as a directional coupler and as an electro-optical modulator, are considered. Our results suggest new applications in millimeter and submillimeter wave solid-state electronics and integrated optics.     

Distribution of the magnetic scattering amplitudes in the Fe/Cu multilayer investigated by resonant magnetic diffraction with circularly polarized hard X-rays

Resonant X-ray magnetic diffraction profiles were measured for an epitaxial Fe/Cu multilayer using circularly polarized X-rays near the Fe and Cu K-edges. Diffraction intensities were compared with those obtained from the theoretical and empirical models. It is found that the interface Fe moment is reduced to 70% of the inner-layer moment. Concerning the Cu layer, the observed energy dependence of the magnetic diffraction intensities is consistent with that derived from the first-principle band calculation, indicating that magnetic proximity effect in the Cu layer is confined within a few atomic layers near the interface.     

Spatial charge distribution and conductivities of the LaAlO3/SrTiO3 interfaces: A theoretical study

The electronic properties of the charge carriers at the LaAlO₃/SrTiO₃ interfaces are investigated by first principles studies. For the n-type interface, the carriers are located only on the SrTiO₃ side. For the p-type interface, the carriers are highly localized at the interface. A critical thickness of the LaAlO₃ overlayer exists, below which, the interface is insulating. Moreover, we show that the effective masses and mobilities of the carriers are spatially anisotropic and have a strong disparity for the two types of carriers. These results are consistent with experimental observations and are explained by the band structures and alignments of the consisting oxides and their interaction at the interfaces.