Modulation of Schottky barrier in XSi2N4/graphene (X=Mo and W) heterojunctions by biaxial strain

Reducing the Schottky barrier height (SBH) and even achieving the transition from Schottky contacts to Ohmic contacts are key challenges of achieving high energy efficiency and high-performance power devices. In this paper, the modulation effects of biaxial strain on the electronic properties and Schottky barrier of MoSi₂N₄ (MSN)/graphene and WSi₂N₄ (WSN)/graphene heterojunctions are examined by using first principles calculations. After the construction of heterojunctions, the electronic structures of MSN, WSN, and graphene are well preserved. Herein, we show that by applying suitable external strain to a heterojunction stacked by MSN or WSN — an emerging two-dimensional (2D) semiconductor family with excellent mechanical properties — and graphene, the heterojunction can be transformed from Schottky p-type contacts into n-type contacts, even highly efficient Ohmic contacts, making it of critical importance to unleash the tremendous potentials of graphene-based van der Waals (vdW) heterojunctions. Not only are these findings invaluable for designing high-performance graphene-based electronic devices, but also they provide an effective route to realizing dynamic switching either between n-type and p-type Schottky contacts, or between Schottky contacts and Ohmic contacts.     

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.     

Tuning the Schottky barrier in the arsenene/graphene van der Waals heterostructures by electric field

Using density functional theory calculations, we investigate the electronic properties of arsenene/graphene van der Waals (vdW) heterostructures by applying external electric field perpendicular to the layers. It is demonstrated that weak vdW interactions dominate between arsenene and graphene with their intrinsic electronic properties preserved. We find that an n-type Schottky contact is formed at the arsenene/graphene interface with a Schottky barrier of 0.54 eV. Moreover, the vertical electric field can not only control the Schottky barrier height but also the Schottky contacts (n-type and p-type) and Ohmic contacts (n-type) at the interface. Tunable p-type doping in graphene is achieved under the negative electric field because electrons can transfer from the Dirac point of graphene to the conduction band of arsenene. The present study would open a new avenue for application of ultrathin arsenene/graphene heterostructures in future nano- and optoelectronics.     

Electronic properties and tunability in graphene/3D-InP mixed-dimensional van der Waals heterostructure

InP solar cell is promising for space application due to its strong space radiation resistance and high power conversion efficient (PCE). Graphene/InP heterostructure solar cell is expected to have a higher PCE because strong near-infrared light can also be absorbed and converted additionally by graphene in this heterostructure. However, a low PCE was reported experimentally for Graphene/InP heterostructures. In this paper, electronic properties of graphene/InP heterostructures are calculated using density functional theory to understand the origin of the low PCE and propose possible improving ways. Our calculation results reveal that graphene contact with InP form a p-type Schottky heterostructure with a low Schottky barrier height (SBH). It is the low SBH that leads to the low PCE of graphene/InP heterostructure solar cells. A new heterostructure, graphene/insulating layer/InP solar cells, is proposed to raise SBH and PCE. Moreover, we also find that the opened bandgap of graphene and SBH in graphene/InP heterostructures can be tuned by exerting an electric field, which is useful for photodetector of graphene/InP heterostructures.     

Interface contact and modulated electronic properties by external vertical strains and electric fields in graphene/MoS2 heterostructure

Based to the first-principles calculations, we study the electronic properties of graphene/MoS₂ heterostructure by modulating the vertical strains and applying external electric field. Graphene/MoS₂ heterostructure is a van der Waals heterostructure (vdWH) with the interlayer spacing is 3.2 Å for the equilibrium state, and the contact property of the interface is n-type Schottky contact. The Schottky barrier height (SBH) changes with vertical strains which induces a change of charge transfer between graphene and MoS₂ layer. In addition, with strain or without strain, the applied positive electric field can effectively promote the charge transfer from graphene to MoS₂, while the negative electric field has the opposite effect. These findings support for the design of field effect transistors based on graphene vdWHs.     

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.     

Co$lt;sub$gt;2$lt;/sub$gt;SnO$lt;sub$gt;4$lt;/sub$gt;/Graphene复合材料的制备与电化学性能研究

实验首先采用改进的Hummers法制备氧化石墨,然后以氧化石墨烯为前驱体,通过水热法将锡酸钴纳米颗粒均匀镶嵌在石墨烯薄膜基片上,最终获得Co₂SnO₄/Graphene镶嵌复合材料. 采用X射线衍射（XRD）、扫描电子显微镜（SEM）对材料的结构和形貌进行表征,通过恒电流充放电（CC）、循环伏安法（CV）与交流阻抗法（EIS）测试了材料的电化学性能. 实验结果表明,石墨烯良好的分散性及较高的电子导电率,可以提高锡酸钴材料的电化学性能,材料首次可逆容量达到1415.2 mA·h/g,50次循环后仍能保持469.7 mA·h/g的放电比容量. 关键词： 2SnO₄')" href="#">Co₂SnO₄ 石墨烯 电化学性能 锂离子电池     

Embedded-Ge source and drain in InGaAs/GaAs dual channel MESFET

We report the first demonstration of n-type III–V metal-semiconductor field-effect transistors (nMESFETs) with IV group material hetero-junction source and drain (S/D) technology. A selective epitaxial growth of germanium (Ge) in the recessed gallium arsenide (GaAs) S/D regions is successfully developed using ultra-high vacuum chemical vapor deposition (UHVCVD) system. The dual channel structure includes an additional 10-nm higher mobility n-In_0.2Ga_0.8As layer on n-GaAs channel and is introduced to further improve the device performance. The n-MESFET, combining embedded-Ge S/D with In_0.2Ga_0.8As/GaAs channel, exhibits good transfer properties with a drain current on/off ratio of approximately 10³. Due to the small barrier height of Ti/In_0.2Ga_0.8As Schottky contact, a lattice-matched wide bandgap In_0.49Ga_0.51P dielectric layer is also integrated into the device architecture to build a higher electron Schottky barrier height (SBH) for gate leakage current reduction. The Ti/In_0.49Ga_0.51P/n-In_0.2Ga_0.8As Schottky diode shows a comparable leakage level to Ti/n-GaAs with 2 × 10^?2 A/cm² at a gate voltage of ?2.0 V.     

二硫化钨/石墨烯异质结的界面相互作用及其肖特基调控的理论研究

采用第一性原理方法研究了二硫化钨/石墨烯异质结的界面结合作用以及电子性质,结果表明在二硫化钨/石墨烯异质结中,其界面相互作用是微弱的范德瓦耳斯力.能带计算结果显示异质结中二硫化钨和石墨烯各自的电子性质得到了保留,同时,由于石墨烯的结合作用,二硫化钨呈现出n型半导体.通过改变界面的层间距可以调控二硫化钼/石墨烯异质结的肖特基势垒类型,层间距增大,肖特基将从p型转变为n型接触.三维电荷密度差分图表明,负电荷聚集在二硫化钨附近,正电荷聚集在石墨烯附近,从而在界面处形成内建电场.肖特基势垒变化与界面电荷流动密切相关,平面平均电荷密度差分图显示,随着层间距逐渐增大,界面电荷转移越来越弱,且空间电荷聚集区位置向石墨烯层方向靠近,导致费米能级向上平移,证实了肖特基势垒随着层间距的增加由p型接触向n型转变.本文的研究结果将为二维范德瓦耳斯场效应管的设计与制作提供指导.     

Influence of Schottky drain contacts on the strained AlGaN barrier layer of AlGaN/AlN/GaN heterostructure field-effect transistors

Rectangular Schottky drain AlGaN/AlN/GaN heterostructure field-effect transistors (HFETs) with different gate contact areas and conventional AlGaN/AlN/GaN HFETs as control were both fabricated with same size. It was found there is a significant difference between Schottky drain AlGaN/AlN/GaN HFETs and the control group both in drain series resistance and in two-dimensional electron gas (2DEG) electron mobility in the gate-drain channel. We attribute this to the different influence of Ohmic drain contacts and Schottky drain contacts on the strained AlGaN barrier layer. For conventional AlGaN/AlN/GaN HFETs, annealing drain Ohmic contacts gives rise to a strain variation in the AlGaN barrier layer between the gate contacts and the drain contacts, and results in strong polarization Coulomb field scattering in this region. In Schottky drain AlGaN/AlN/GaN HFETs, the strain in the AlGaN barrier layer is distributed more regularly.     

Ultrafast optical probe of coherent acoustic phonons in Co_2MnAl Heusler film

In this work, pronounced oscillations in the time-resolved reflectivity of Heusler alloy Co_2MnAl films which are epitaxially grown on Ga As substrates are observed and investigated as a function of film thickness, probe wavelength,external magnetic field and temperature. Our results suggest that the oscillation response at 24.5 GHz results from the coherent phonon generation in Co_2MnAl film and can be explained by a propagating strain pulse model. From the probe wavelength dependent oscillation frequency, a sound velocity of(3.85±0.1)×10~3m/s at 800 nm for the epitaxial Co_2MnAl film is determined at room temperature. The detected coherent acoustic phonon generation in Co_2MnAl reported in this work provides a valuable reference for exploring the high-speed magnetization manipulation via magnetoelastic coupling for future spintronic devices based on Heusler alloy films.     

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.     

Heusler合金Co2MnAl(100)表面电子结构、磁性和自旋极化的第一性原理研究

基于第一性原理计算方法系统地研究了L2₁和B2结构下的Heusler合金Co₂MnAl(100)表面原子的原子弛豫、电子结构、磁性和自旋极化行为. L2₁和B2结构的Co₂MnAl(100)表面由于Co–Mn和Co–Al的成键差异, 使得不同原子分别发生不同程度的伸缩. 与块体相比, Co和Mn原子的自旋磁矩由于表面效应而明显增大, 电子结构计算显示L2₁结构块体中的带隙被表面态破坏, 表面效应使得两种结构的CoCo端面自旋极化率降低, 但MnAl端面并未受到显著影响, 呈现了较大的自旋极化, 预测其在隧道结中可能具有很好的应用潜力.     

Co_(2~-)基Heusler合金Co_2FeAl_(1–x)Si_x(x=0.25,x=0.5,x=0.75)的结构、电子结构及热电特性的第一性原理研究

运用基于密度泛函理论的第一性原理方法,对Co_2FeAl_(1–x)Si_x(x=0.25, 0.5, 0.75)系列Heusler合金的电子结构、四方畸变、弹性常数,声子谱以及热电特性进行了计算研究.结果显示, Co_2FeAl_(1–x)Si_x系列合金的电子结构均为半金属特性,向下自旋态(半导体性)均呈现良好的热电特性,并且随着硅原子浓度的增加功率因子随之增加.计算的声子谱不存在虚频,均满足动力学稳定性条件,弹性常数均满足玻恩稳定性条件,机械稳定性均良好.随着晶格常数c/a的比值变化,体系的能量最低点均出现在c/a=1处,即结构稳定性不随畸变度c/a的变化而变化,说明不存在马氏体相变.此系列合金薄膜的电子结构呈现较高的自旋极化率,在替代浓度x=0.75时自旋极化率达到100%,且当x=0.75时薄膜在畸变度c/a=1.2时存在马氏体相变.随着晶格畸变度的改变,总磁矩也发生变化,且主要由Fe和Co两种过渡金属原子的磁矩变化所决定.     

Dependence of the Schottky barrier on the work function at metal/SiON/SiC(0001) interfaces identified by first-principles calculations

We report investigations based on density functional theory that clarify the dependence of the Schottky barrier height (SBH) on the work function of metals at metal/SiON interfaces formed on the 6H-SiC(0001) surface. We have found that the density of atoms in the Al layer affects neither its work function nor the SBH formed when the layer contacts with the SiON surface. More importantly, the SBH for the B overlayer is lower compared with that for the Al layer, reflecting a difference in the work function of the layers. The present result clearly indicates that Fermi-level pinning does not occur for SiON on SiC(0001), which means that the SBH is controllable for metal/SiON/SiC systems by changing the work function of metals.     

Micro-structural and temperature dependent electrical characterization of Ni/GaN Schottky barrier diodes

Micro-structural investigation of Ni/GaN Schottky barrier diodes has been carried out using high-resolution transmission electron microscopy and electron diffraction spectrum in order to emphasize the role of Ni/GaN interface in controlling the Schottky diode behavior. Variable temperature Hall effect measurement of GaN samples along with the current–voltage (I–V) characteristics of Ni/n-GaN Schottky barrier diodes have been measured in 100–380 K temperature range. Results are analyzed in terms of thermionic emission theory by incorporating the concept of barrier inhomogeneity at the metal/semiconductor interface. The observed anomaly of temperature dependence of Schottky barrier height and ideality factor are explained by invoking two sets of Gaussian distribution of SBH in the temperature ranges of 100–180 K and 220–380 K, respectively. The value of A** (effective Richardson constant) as determined from the modified Richardson plot is 29.2 A/(cm² K²), which shows an excellent agreement with the theoretical value (26.4 A/(cm² K²)) in the temperature range of 220–380 K.     

肖特基势垒对铁磁/有机半导体结构自旋注入性质的影响

理论研究了铁磁/有机半导体肖特基接触时的电流自旋极化注入,并讨论了电流自旋极化率随界面处肖特基势垒高度、有机半导体层中特殊载流子及其迁移率、界面附近掺杂浓度的变化关系.通过计算发现,寻找在势垒区中载流子迁移率比较大的有机半导体材料对实现有效的自旋注入是必要的;同时还发现,由于铁磁/有机半导体接触而形成的肖特基势垒不利于自旋注入.因此要想实现有效的自旋注入,界面附近必须采用重掺杂来有效减少势垒区的宽度,且势垒的高度要限制在一定的范围内.     

Experimental I-V and C-V Analysis of Schottky-Barrier Metal-Oxide-Semiconductor Field Effect Transistors with Epitaxial NiSi_2 Contacts and Dopant Segregation

We present an experimental analysis of Schottky-barrier metal-oxide-semiconductor field effect transistors(SBMOSFETs) fabricated on ultrathin body silicon-on-insulator substrates with a steep junction by the dopant implantation into the silicide process. The subthreshold swing of such SB-MOSFETs reaches 69 mV/dec. Emphasis is placed on the capacitance-voltage analysis of p-type SB-MOSFETs. According to the measurements of gate-to-source capacitance C_(gs) with respect to V_(gs) at various V_(ds), we find that a maximum occurs at the accumulation regime due to the most imbalanced charge distribution along the channel. At each C_(gs) peak, the difference between V_(gs) and V_(ds) is equal to the Schottky barrier height(SBH) for NiSi_2 on highly doped silicon,which indicates that the critical condition of channel pinching off is related with SBH for source/drain on channel. The SBH for NiSi_2 on highly doped silicon can affect the pinch-off voltage and the saturation current of SB-MOSFETs.     

Controlled modification of Schottky barrier height by partisan interlayer

A comprehensible and systematic method to modify the Schottky barrier height (SBH), based on the adjustment of the semiconductor electron affinity through adsorbate termination, is demonstrated. Atomic layers of As and Cl, inserted at the metal-Si(111) interface and preferentially bonded to Si, are shown to shift the SBH by as much as 0.40 eV. The (partial) preservation of surface dipole at the metal-semiconductor (MS) interface is likely attributable to the chemical stability of adsorbate-terminated semiconductor surfaces. Experimental and theoretical results are presented to demonstrate the validity of the concept and the effectiveness of SBH adjustment through such “partisan” interlayers. The general implications of these results for the theoretical understanding and the practical control of the SBH are also discussed.