梯度铝镓氮缓冲层对氮化镓外延层性质的影响

采用金属有机物化学气相沉积系统在硅面碳化硅衬底的(0001)面上生长氮化铝缓冲层,并通过改变3层梯度铝镓氮(Al_xGa_(1-x)N:x=0.8,0.5,0.2)缓冲层的生长温度和氨气流量,制备出了高质量的氮化镓外延层。分别采用X射线衍射、原子力显微镜、光致发光谱和拉曼光谱对氮化镓外延层进行表征。实验结果表明,随着氮化镓外延层中张应力的降低,样品的晶体质量、表面形貌和光学质量都有显著提高。在最优的梯度铝镓氮缓冲层的生长条件下,氮化镓外延层中的应力值最小,氮化镓(0002)和(1012)面的摇摆曲线半峰宽分别为191 arcsec和243 arcsec,薄膜螺位错密度和刃位错密度分别为7×10~7cm~(-2)和3.1×108cm~(-2),样品表面粗糙度为0.381 nm。这说明梯度铝镓氮缓冲层可以改变氮化镓外延层的应力状态,显著提高氮化镓外延层的晶体质量。     

基于微观结构计算晶体宏观弹性应变场

基于晶体的微观结构提出了一种计算晶体宏观弹性应变场的方法,将该方法应用于金属晶体Fe,得到的应变场与连续介质理论预测结果吻合地很好,从而证明了该方法的准确性.以该方法为基础,进一步考虑无限小应变与有限应变的差值,发现应变差值在晶体剧烈变形区域内较强,对金属晶体Cu位错应变场的计算表明这种应变差异可以用来描述位错的运动状态和芯域结构.该方法可为评估晶体缺陷附近应变状态提供依据.     

基于微观结构计算晶体宏观弹性应变场

基于晶体的微观结构提出了一种计算晶体宏观弹性应变场的方法,将该方法应用于金属晶体Fe,得到的应变场与连续介质理论预测结果吻合地很好,从而证明了该方法的准确性.以该方法为基础,进一步考虑无限小应变与有限应变的差值,发现应变差值在晶体剧烈变形区域内较强,对金属晶体Cu位错应变场的计算表明这种应变差异可以用来描述位错的运动状态和芯域结构.该方法可为评估晶体缺陷附近应变状态提供依据.     

压缩应变载荷下氮化镓隧道结微观压电特性及其巨压电电阻效应

电子器件可控性研究在日益追求器件智能化和可控化的当今社会至关重要. 基于第一性原理和量子输运计算, 本文研究了压缩应变载荷对氮化镓(GaN)隧道结基态电学性质和电流输运的影响, 在原子尺度上窥视了氮化镓隧道结的微观压电性, 验证了其内在的巨压电电阻(GPR)效应. 计算结果表明, 压缩应变载荷可以调节隧道结内氮化镓势垒层的电势能降、内建电场、电荷密度和极化强度, 进而实现对隧道结电流输运和隧穿电阻的调控. 在-1.0 V的偏置电压下, -5%的压缩应变载荷将使氮化镓隧道结的隧穿电阻增至4倍. 本研究展现了氮化镓隧道结在可控电子器件中的应用潜力, 也展现了应变工程在调控电子器件性能方面的光明前景.     

位错和层错对氮化镓热导率影响的分子动力学模拟

本文利用非平衡分子动力学方法研究了位错和堆垛层错对氮化镓晶体热导率的影响。研究结果表明氮化镓中刃型位错的存在不仅对垂直位错线方向的热量传输有影响,也对平行于位错线方向有较大影响。本文利用非平衡分子动力学方法对氮化镓晶体中小角度晶界、晶界c面(0001)堆垛层错以及a面(1210)面堆垛层错结构的界面热阻进行了计算,并且研究了氮化镓晶体中c面堆垛层错的界面热阻的变化规律。研究结果表明氮化镓晶体中c面堆垛层错的界面热阻随着层错厚度的增加而增大,随着体系长度的增大而减小。     

(001)面任意方向单轴应变硅材料能带结构

首先计算了(001)晶面单轴应变张量,在此基础上采用结合形变势理论的K ·P微扰法建立了在(001)晶面内受任意方向的单轴压/张应力作用时,应变硅材料的能带结构与应力(类型、大小)及晶向的关系模型,进而分析了不同单轴应力(类型、大小)及晶向对应变硅材料导带带边、价带带边、导带分裂能、价带分裂能、禁带宽度的影响.研究结果可为单轴应变硅器件应力及晶向的选择设计提供理论依据. 关键词： 单轴应变硅 K ·P法 能带结构     

应变对两层半氢化氮化镓薄膜电磁学性质的调控机理研究

采用基于密度泛函理论的第一性原理模拟计算,研究了在应变作用下两层半氢化氮化镓纳米薄膜的电学和磁学性质.没有表面修饰的两层氮化镓纳米薄膜的原子结构为类石墨结构,并具有间接能隙.然而,当两层氮化镓纳米薄膜的一侧表面镓原子被氢化时,该纳米薄膜却依然保持纤锌矿结构,并且展示出铁磁性半导体特性.在应变作用下,两层半氢化氮化镓纳米薄膜的能隙可进行有效调控,并且它将会由半导体性质可转变为半金属性质或金属性质.这主要是由于应变对表面氮原子的键间交互影响和p-p轨道直接交互影响之间协调作用的结果.该研究成果为实现低维半导体纳米材料的多样化提供了有效的调控手段,为其应用于新型电子纳米器件和自旋电子器件提供重要的理论指导.     

GaN基蓝光LED中光子晶体对提取效率及发光偏振态的影响

为了提高氮化镓基蓝光发光二极管的发光提取效率,在其电流扩展层上生长光子晶体.讨论了光子晶体结构周期、刻蚀深度和占空比参数与提取效率的关系,并采用时域有限差分法进行模拟计算.结果表明在晶格周期为300nm、占空比为60%和刻蚀深度为200nm的条件下,生长光子晶体结构后,氮化镓基蓝光发光二极管的提取效率提升了27.93%.研究了激励源在光子晶体晶格周期内位置变化对提取效率的影响,拟合得到更符合实际物理意义的氮化镓基蓝光发光二极管发光提取效率函数.利用等效折射率理论和法布里-珀罗薄膜干涉模型解释了氮化镓基蓝光发光二极管中TE模和TM模偏振之间提取效率的差异,数值仿真得到最大差异值为1.442倍,从而获得高偏振对比度光源.用该结构参数制备的发光二极管器件应用于液晶显示背光源,可提高液晶显示的能耗效率.     

利用高分辨X射线衍射研究磷酸二氢钾晶体晶格应变应力

采用高分辨X射线衍射技术对大尺寸磷酸二氢钾(KDP)晶体的晶格应变进行了测量,并定量分析了其晶格应力.探讨出KDP晶体容易沿着[001]方向发生开裂,与实际工作中的开裂现象相符合;进一步归纳总结了晶体生长过程中引入内应力而导致晶体开裂的主要因素.研究结果为提出相应的晶体防裂措施提供了重要的理论基础.     

静止颗粒体的应变与弹性

文章指出通过空间平均每个颗粒内应变的方法不能得到无粘性颗粒材料的宏观应变，位移矢 量场和应变张量场一般没有粗粒化平均性质.但这并不妨碍以平衡态热力学为基础的宏观应 变概念和弹性理论对静止颗粒体的有效性. 关键词： 无粘性颗粒体 应变 弹性 粗粒化     

Hetero-Epitaxial Diamond Single Crystal Growth on Surface of cBN Single Crystals at High Pressure and High Temperature

We report a new diamond synthesis process in which cubic boron nitride single crystals are used as seeds, FesoNi20 alloy powder is used as catalyst/solvent and natural flake-like graphite is used as the carbon source. The samples are investigated using laser Raman spectra and x-ray diffraction （XRD）. Morphology of the sample is observed by a scanning electron microscope （SEM）. Based on the measurement results, we conclude that diamond single crystals have grown on the cBN crystal seeds under the conditions of high temperature 1230℃ and high pressure 4.8 GPa. This work provides an original method for synthesis of high quality hereto-semiconductor with cBN and diamond single crystals, and paves the way for future development.     

From anti‐Stokes photoluminescence to resonant Raman scattering in GaN single crystals and GaN‐based heterostructures

The progress on anti‐Stokes photoluminescence and Stokes and anti‐Stokes Raman scattering in GaN single crystals and GaN/AlN heterostructures is reviewed. Anti‐Stokes photoluminescence investigated in the past was primarily attributed to two‐photon absorption, three‐photon absorption, and phonon‐assisted absorption. On the other hand, anti‐Stokes Raman scattering was used to determine electron‐phonon scattering time and decay time constant for longitudinal‐optical phonons. In a typical high electron mobility transistor based on GaN/AlN heterostructures, strong resonances were reached for first‐order and second‐order Raman scattering processes. Therefore, both Stokes and anti‐Stokes Raman intensities were dramatically enhanced. The feasibility of laser cooling of a nitride structure has been demonstrated. Anti‐Stokes photoluminescence and Raman scattering have potential applications in upconversion lasers and laser cooling of nitride ultrafast electronic and optoelectronic devices.     

Novel technique for hetero-epitaxial diamond film growth on cubic boron nitride from iron carbide at high temperature and high pressure

Cubic boron nitride (c-BN) crystals about 0.1–0.3 mmin dimension were treated with iron carbide powders (high purity 99%) with size of 80–100 mesh at a high temperature of 1620 K and a high pressure of 5.2 GPa. It was found that hetero-epitaxial diamond films have been grown on the c-BN from iron carbide. The formation of dia-mond films on the cubic boron nitride can be confirmed by laser Raman spectra, face scan of elements and reflective high-energy electron diffraction. It was suggested that diamond films could be epitaxially formed on the c-BN through decomposition of iron carbide. This approach provides a possible and very effective way to realize hetero-epitaxial growth of homogeneous and large-area diamond films on c-BN, which is different from the conventional technique using a chemical vapor deposition method. Received: 20 December 2000 / Accepted: 9 January 2001 / Published online: 28 February 2001     

氮化铝结构的高温Raman光谱分析

本文测量了氮化铝在不同温度下的Raman光谱 ,并确定了氮化铝的光学声子模E2 1、A1(TO)、E2 2 、E1(TO)、A1(LO)和E1(LO)Raman散射峰的频率 ,它们分别为 2 5 2cm- 1、6 1 4cm- 1、6 5 8cm- 1、6 72cm- 1、894cm- 1和 91 2cm- 1,其中光学声子模A1(TO)、E2 2 的Raman散射峰比较明显。随着温度的升高 ,A1(TO)、E2 2 散射峰的频率向低波数方向变化 ,表明氮化铝粉末压制体中存在的压应力逐渐减小 ;这两个散射峰的半高宽逐渐增大 ,说明随着温度的升高 ,存在氮原子和铝原子的扩散使得氮化铝粉末压制体中晶体结构逐渐发生变化。由于氮化铝粉末本身在空气中易与水蒸气发生反应 ,生成的Al(OH) 3 或AlOOH在加热过程会发生分解 ,干扰样品高温Raman光谱测量。     

A New High Pressure - Low Temperature Process for the Synthesis and the Crystal Growth of Gallium Nitride

Gallium nitride can be synthesized by a solvothermal route using ammonia as solvent and a nitriding additive (such as hydrazine hydrochloride NH 2 NH 3 Cl or sodium azide NaN 3 ) encapsulated in melt gallium as chemical reagents. The involved temperature and pressure are respectively 600 °C and 150 MPa. The synthesized products are then characterized by X-Ray Diffraction and Scanning Electron Microscopy. The synthesis parameters influence the powder morphology and purity.     

A low frequency Raman-active vibration of hexagonal boron nitride

Raman spectra of single crystals and powder of hexagonal boron nitride have been measured at room temperature. Two Raman lines due to phonons of 52.5 and 1366 cm^-1 were observed. The 52.5 cm^-1 line, observed for the first time, has been attributed to the shear-type rigid layer mode of the crystal. The force constants related with the vibrations of these modes and their anisotropy are compared with those of graphite.     

Raman characteristics of carbon nitride synthesized by nitrogen-ion-beam-assisted pulsed laser deposition

Raman characteristics of carbon nitride films synthesized by nitrogen-ion-beam-assisted pulsed laser deposition were investigated. In addition to the D (disorder) band and G (graphitic) band commonly observed in carbon nitride films, two Raman bands located at 1080–1100 and 1465–1480 cm^-1 were found from our carbon nitride films. These two bands were well matched with the predicted Raman frequencies for βC₃N₄ and the observed Raman bands reported for carbon nitride films, indicating their relation to carbon-nitrogen stretching vibrations. Furthermore, the relative intensity ratio of the two Raman bands to the D and G bands increased linearly with increasing nitrogen content of the carbon nitride films. Received: 30 October 2000 / Accepted: 5 February 2001 / Published online: 2 October 2001     

用不同合成体系制备黑色立方氮化硼的研究

 立方氮化硼（cBN）晶体随颜色的加深,晶体的晶形越完整,晶体尺寸也越大。采用Mg+hBN、LiH+hBN、Li₃N+hBN+B和B+Li₃N 4种体系分别合成出了黑色的立方氮化硼晶体。通过光学显微镜、X射线衍射、拉曼光谱等测试分析手段,从合成条件、晶体形貌、颗粒度及残余应力等方面对不同体系合成出的黑色cBN晶体作了比较。结果表明,不同体系的合成效果有很大差别。在实际应用中应该根据需要采用不同的体系,以达到最优化合成目的。     

High growth rate deposition of oriented InN pillar crystals

High growth rate deposition of highly oriented indium nitride (InN) pillar crystals were successfully grown on Si(100) substrate prepared under atmospheric pressure using a halide CVD method (AP-HCVD). The growth rate of InN pillar crystal can be enhanced threefold by AP-HCVD system with metal halide dual sources zone, and the maximum growth rate of 8.33 nm/s was achieved. X-ray diffraction and X-ray pole-figure analyses showed that the each InN pillar crystal grows with a different rotation angle around the 〈001〉 axis. Selected area transmission electron diffraction showed that that they are of high crystal quality.     

Surface and interface studies of GaN epitaxy on Si(111) via buffer layers

Gallium nitride films, epitaxially grown on Si(111) via a lattice-matched ZrB(2) buffer layer by plasma-assisted molecular beam epitaxy, have been studied in situ by noncontact atomic force microscopy and also in real time by reflection high-energy electron diffraction. The grown films were determined to be always N-polar. First-principles theoretical calculations modeling the interface structure between GaN(0001) and ZrB(2)(0001) clarify the origin of the N polarity.