The influence of pressure on the growth of a-plane GaN on r-plane sapphire substrates by MOCVD

Nonpolar a-plane (110) GaN films have been grown on r-plane (102) sapphire by metal-organic chemical vapor deposition (MOCVD) under different growth pressures. The as-grown films are investigated by optical microscopy, high-resolution X-ray diffraction (HRXRD) and Raman scattering. As growth pressure rises from 100 mbar to 400 mbar, the surface gets rougher, and the in-plane XRD full width at half maximum (FWHM) along the c-axis [0001] increases while that along the m-axis [100] decreases. Meanwhile, res...     

Spontaneous Ga incorporation in ZnO nanowires epitaxially grown on GaN substrate

Surface‐diffusion‐induced spontaneous Ga incorporation process is demonstrated in ZnO nanowires grown on GaN substrate. Crucially, contrasting distributions of Ga atoms in axial and radial directions are experimentally observed. Ga atoms uniformly distribute along the ～10 μm long ZnO nanowire and show a rapidly gradient distribution in the radial direction, which is attributed substantially to the difference between surface and volume diffusion. The understanding on the incorporation process can potentially modulate doping and properties in semiconductor nanomaterials.

     

Stress dependence on N/Ga ratio in GaN epitaxial films grown on ZnO substrates

GaN films were grown on ZnO substrate under various beam equivalent pressure ratios by plasma-assisted molecular beam epitaxy (P-MBE). We theoretically calculated the thermal stress caused by the difference of thermal expansion coefficients between GaN and ZnO. The changes of stress and critical thickness were evaluated by measurement of XRD for HT GaN and LT GaN buffer grown under Ga-rich and N-rich conditions. From this study, we observed that GaN grown under Ga-rich condition causes GaN film to under compressive-stress, while GaN grown under N-rich condition was tensile-stressed. Consequently, interdiffusion has no effect on the variation of the critical thickness.     

The influence of AlN/GaN superlattice intermediate layer on the properties of GaN grown on Si（111） substrates

AlN/GaN superlattice buffer is inserted between GaN epitaxial layer and Si substrate before epitaxial growth of GaN layer. High-quality and crack-free GaN epitaxial layers can be obtained by inserting AlN/GaN superlattice buffer layer. The influence of AlN/GaN superlattice buffer layer on the properties of GaN films are investigated in this paper. One of the important roles of the superlattice is to release tensile strain between Si substrate and epilayer. Raman spectra show a substantial decrease of in-plane tensile strain in GaN layers by using AlN/GaN superlattice buffer layer. Moreover, TEM cross-sectional images show that the densities of both screw and edge dislocations are significantly reduced. The GaN films grown on Si with the superlattice buffer also have better surface morphology and optical properties.     

Properties of Si-doped GaN and AlGaN/GaN heterostructures grown by RF-MBE on high resistivity Fe-doped GaN

Silicon-doped GaN epilayers and AlGaN/GaN heterostructures were developed by nitrogen plasma-assisted molecular beam epitaxy on high resistivity iron-doped GaN (0001) templates and their properties were investigated by atomic force microscopy, x-ray diffraction and Hall effect measurements. In the case of high electron mobility transistors heterostructures, the AlN mole fraction and the thickness of the AlGaN barrier employed were in the range of from 0.17 to 0.36 and from 7.5 to 30 nm, respectively. All structures were capped with a 2 nm GaN layer.Despite the absence of Ga droplets formation on the surface, growth of both GaN and AlGaN by RF-MBE on the GaN (0001) surfaces followed a step-flow growth mode resulting in low surface roughness and very abrupt heterointerfaces, as revealed by XRD. Reciprocal space maps around the reciprocal space point reveal that the AlGaN barriers are fully coherent with the GaN layer.GaN layers, n-doped with silicon in the range from 10¹⁵ to 10¹⁹ cm⁻³ exhibited state of the art electrical properties, consistent with a low unintentional background doping level and low compensation ratio. The carrier concentration versus silicon cell temperatures followed an Arhenius behaviour in the whole investigated doping range. The degenerate 2DEG, at the AlGaN/GaN heteroiterfaces, exhibited high Hall mobilities reaching 1860 cm²/V s at 300 K and 10 220 cm²/V s at 77 K for a sheet carrier density of 9.6E12 cm⁻².The two dimensional degenerate electron gas concentration in the GaN capped AlGaN/GaN structures was also calculated by self-consistent solving the Schrödinger–Poisson equations. Comparison with the experimental measured values reveals a Fermi level pinning of the GaN (0001) surface at about 0.8 eV below the GaN conduction band.     

Ca5N4高压新相的第一性原理研究

通过在氮中引入杂质离子,利用高压手段获得具有新奇结构的多氮化合物是目前被广泛应用的研究方法.钙氮材料在催化、光电方面有着广泛的应用.具有较低电离能的钙(Ca)元素很容易和氮原子形成离子键钙氮化物.高压为寻找新型钙氮化合物提供了全新的技术途径.因此,利用高压方法,通过改变配比的方式,寻找具有新奇特性的钙氮高压结构,是一项非常有意义的工作.本文利用基于密度泛函理论的结构搜索方法,在100 GPa条件下,通过预测得到了一个稳定的Ca5N4相.该结构内部氮原子之间以N-N共价单键键合,氮原子和钙原子之间是离子键相互作用,且钙氮之间的电荷转移量为1.26 e/N atom.能带结构计算表明P 21/c-Ca5N4是一个直接带隙为1.447 eV的半导体结构.最后,系统地给出了该结构的拉曼振动光谱,并指认了拉曼振动模式,为实验合成该结构提供了理论指导.     

A new route for the synthesis of nitrides: The solvothermal preparation of GaN

Abstract

A new solvothermal route for the synthesis of nitrides is proposed using liquid NH3 as solvent in supercritical conditions, Such a preparation method was applied to the synthesis of GaN using gallium metal as starting material.

GaN is a wide band-gap semi-conductor (3.4eV). It is a very attractive nitride due to its various applications in micro- and opto-electronics [1,2]. Consequently, many research groups are interested in synthesising GaN. Two methods have been principally developed:

(i) synthesis of thin films by epitaxy [3,4]

(ii) synthesis of bulk GaN by high pressure method [5,6].

The new proposed process leads to fine microcrystallites of GaN with the wurtzite-type structure. The chemical purity can be optimised versus the synthesis mechanism. The size and shape of the crystallites would be influenced by the nature of the nitriding additive and the thermodynamical conditions (pressure and temperature) used for the synthesis.     

高压下KMgF_3晶体光学性质的第一性原理研究

本文采用第一性原理的方法,在100 GPa的压力范围内,计算了KMgF_3的理想晶体和含空位缺陷晶体的光学性质.吸收谱数据表明,在100 GPa范围内,压力因素不会导致KMgF_3晶体在可见光区有光吸收行为.钾、镁和氟空位缺陷的存在会使得KMgF_3晶体的吸收边红移(其中氟空位缺陷引起的红移最显著),但这些红移不会导致它在可见光区出现光吸收的现象.能量损失谱数据显示,压力因素不仅会使得KMgF_3晶体的能量损失谱有蓝移的行为,而且还会引起它的较强谱峰个数发生变化.在100 GPa处的缺陷晶体数据指明,氟空位缺陷会导致其能量损失谱的两个较强谱峰的峰值强度明显降低.分析表明,KMgF_3晶体有成为冲击窗口材料的可能,并且本文所获得的结果对未来的实验探究有参考作用.     

高压下BaLiF3晶体光学性质的第一性原理研究

本文采用第一性原理方法, 在190 GPa的压力范围内, 计算了BaLiF3理想晶体和含空位点缺陷晶体的光学性质. 吸收谱数据表明, 压力因素不会导致BaLiF3晶体在可见光区有光吸收的行为. 空位点缺陷的存在会使得BaLiF3的吸收边红移(其中氟空位点缺陷引起的红移最显著) , 但这些红移不会导致它在可见光区内出现光吸收的现象. 波长在532 nm处的折射率数据显示, BaLiF3的折射率将随压力升高而增大. 氟空位点缺陷将导致BaLiF3的折射率增大, 但钡空位点缺陷和锂空位点缺陷的存在对其基本没有影响. 本文预测, BaLiF3晶体有成为冲击光学窗口材料的可能.     

GaN晶体中堆垛层错的高分辨电子显微像研究

借助高分辨电子显微像结合解卷处理的方法研究了GaN晶体中的堆垛层错.简要介绍了高分辨电子显微像的解卷处理原理，指出通过解卷处理可以把本来不直接反映待测晶体结构的高分辨电子显微像转换为直接反映晶体结构的图像.用高分辨电子显微像观察了GaN晶体中的堆垛层错，对高分辨电子显微像作了解卷处理.在解卷像上清晰可见缺陷核心的原子排列情况，据此确定了层错的类型.此外，还讨论了解卷处理在研究晶体缺陷中的效用. 关键词： GaN 晶体缺陷 高分辨电子显微学 解卷处理     

Physical properties of quaternary compounds Gd2CoAl4T2 (T= Si,Ge) single crystals

We have synthesized and investigated physical properties of two new quaternary compounds Gd₂CoAl₄T₂ (T= Si, Ge) single crystals, which are isostructural to Tb₂NiAl₄Ge₂ and Er₂CoAl₄Ge₂. The most important structural feature of these materials is the anti-CaF₂-type CoAl₄T₂ slabs. These materials show metallic behavior below 300 K and there is a long-range antiferromagnetic (AFM) transition appearing at 20 and 27 K for Gd₂CoAl₄Ge₂ and Gd₂CoAl₄Si₂, respectively. Resistivity and heat capacity measurements also confirm these bulk AFM transitions. Further analysis indicates that this long-range antiferromagnetism should result from the magnetic interaction between local moments of Gd³⁺ ions.     

The influence of SixNy interlayer on GaN film grown on Si(111) substrate

A method to drastically reduce dislocation density in a GaN film grown on an Si(111) substrate is newly developed. In this method, the Si_xN_y interlayer which is deposited on an AlN buffer layer in situ is introduced to grow the GaN film laterally. The crack-free GaN film with thickness over 1.7 micron is grown on an Si(111) substrate successfully. Synthesized GaN epilayer is characterized by X-ray diffraction (XRD), atomic force microscope (AFM), and Raman spectrum. The test results show that the GaN crystal reveals a wurtzite structure with the <0001> crystal orientation and the full width at half maximum of the X-ray diffraction curve in the (0002) plane is as low as 403 arcsec for the GaN film grown on the Si substrate with an Si_xN_y interlayer. In addition, Raman scattering is used to study the stress in the sample. The results indicate that the Si_xN_y interlayer can more effectively accommodate the strain energy. So the dislocation density can be reduced drastically, and the crystal quality of GaN film can be greatly improved by introducing Si_xN_y interlayer.     

相变及空位缺陷对CaF2在高压下光学性质的影响

本文采用第一性原理方法, 计算了CaF2的理想晶体和含钙、氟空位点缺陷晶体在100 GPa压力范围内的光吸收谱和折射率. 吸收谱数据表明, 压力因素诱导的两个结构相变对 CaF2的吸收谱均有影响: 第一个相变将导致其吸收边蓝移, 而第二个相变却引起其吸收边红移. 钙空位点缺陷会使得CaF2的吸收边微弱蓝移, 但氟空位点缺陷却导致其吸收边有显著的红移. 然而, 这些红移的行为并未使得CaF2晶体在250-1000 nm的波段范围内出现光吸收的现象（是透明的）. 532 nm处的折射率数据显示, 在 CaF2的三个结构相区（Fm3m、Pnma、P63/mmc相区）, 其折射率均随压力增大而增加; 同时, 高压结构相变以及氟空位点缺陷也使得CaF2的折射率增大, 但钙空位点缺陷却导致其折射率减小. 数据分析表明, CaF2晶体有成为冲击窗口材料的可能, 本文所获得的信息对未来的实验研究有参考价值.     

Electrical properties of TlGaTe2 single crystals under hydrostatic pressure

The effect of hydrostatic pressure (up to 0.82 GPa) on the electric properties of chain TlGaTe₂ single crystals has been investigated in the temperature range 77-296 K. It has been shown that pressure leads to a considerable increase of conductivity (σ_⊥) across the chains of TlGaTe₂ single crystals. Parameters of localized states in the band gap of TlGaTe₂ single crystal according to the low-temperature electrical measurements were obtained at various pressures.     

Phase diagram of aqueous solution at high pressure and low temperature

Abstract

This paper presents a constant mass high pressure isothermal calorimeter and describes the range of applications that this type of equipment can deal with. As an example, the thermophysical properties of an aqueous solution of MgSO₄ at low temperature and at high pressure have been investigated. The main results showed that the phase change heat of the solution decreased with increasing pressure and the phase change temperature of the eutectic concentration was depressed under high pressure. Those changes could be related to the MgSO₄ solubility and to water latent heat changes.     

The influence of Ga source and substrate position on the growth of low dimensional GaN wires by chemical vapour deposition

This paper presents the investigation of low dimensional GaN structures synthesized from Ni-catalyzed chemical vapour deposition (CVD) method under two different conditions, i.e. Ga source and substrate position. Comparative studies based on the morphological, structural and optical characteristics of synthesized GaN wires were carried out in this work. The variations of morphological and dimensional aspects of the GaN wires were attributed to the position of Ga precursor and substrates. These factors were found to be able to influence the degree of supersaturation of gaseous reactants, which is essential in the growth of GaN wires by vapour-liquid-solid (VLS) mechanism. The synthesized GaN wires typically were found to have diameters ranging 35-80 nm (nanowires) and 0.4-1.3 μm (microwires), respectively, with length up to several ten of microns. X-ray diffraction (XRD) results indicated that the grown GaN wires were hexagonal wurzite phase. Ultraviolet (UV) and blue emissions were observed from photoluminescence (PL) measurements. Raman spectra displayed asymmetrical and broadened bands which could be ascribed to the size effect, surface disorder and internal strain of the synthesized GaN wires.     

Comparative study of different properties of GaN films grown on(0001) sapphire using high and low temperature AlN interlayers

Comparative study of high and low temperature AlN interlayers and their roles in the properties of GaN epilayers prepared by means of metal organic chemical vapour deposition on (0001) plane sapphire substrates is carried out by high resolution x-ray diffraction, photoluminescence and Raman spectroscopy. It is found that the crystalline quality of GaN epilayers is improved significantly by using the high temperature AlN interlayers, which prevent the threading dislocations from extending, especially for the edge type dislocation. The analysis results based on photoluminescence and Raman measurements demonstrate that there exist more compressive stress in GaN epilayers with high temperature AlN interlayers. The band edge emission energy increases from 3.423~eV to 3.438~eV and the frequency of Raman shift of $E_{2 }$(TO) moves from 571.3~cm$^{ - 1}$ to 572.9~cm$^{ - 1}$ when the temperature of AlN interlayers increases from 700~$^{\circ}$C to 1050~$^{\circ}$C. It is believed that the temperature of AlN interlayers effectively determines the size, the density and the coalescence rate of the islands, and the high temperature AlN interlayers provide large size and low density islands for GaN epilayer growth and the threading dislocations are bent and interactive easily. Due to the threading dislocation reduction in GaN epilayers with high temperature AlN interlayers, the approaches of strain relaxation reduce drastically, and thus the compressive stress in GaN epilayers with high temperature AlN interlayers is high compared with that in GaN epilayers with low temperature AlN interlayers.     

On the nature of the dhcp to fcc transition under pressure in Pr and Pr-Th alloys

The results of electrical resistance (R), thermoelectric power (TEP) and X-ray diffraction measurements on praseodymium (Pr) and its alloys with thorium under pressure are reported. The maximum inR vsP curve exhibited by Pr persists only in the dhcp phase of PrTh alloy. X-ray measurements confirmed that in the alloys also the maximum inR vsP curve is due to the dhcp → fcc transition. Thus the behaviour of Pr and Pr-Th alloys is different from that of La and its alloys with Ce and Th where the maximum in theR vsP curve is electronic in origin and is exhibited by the dhcp, fcc and dist fcc phases.