Magnetic metastability in tetrahedrally bonded magnetic III-nitride semiconductors

Results of density-functional calculations for isolated transition metal (TM = V, Cr, Mn, Fe, Co, Ni on cation sites) doped GaN demonstrate a novel magnetic metastability in dilute magnetic semiconductors. In addition to the expected high spin ground states (4muB/Mn and 5muB/Fe), there are also metastable low spin states (0muB/Mn and 1muB/Fe)--a phenomenon that can be explained in simple terms on the basis of the ligand field theory. The transition between the high spin and low spin states corresponds to an intraionic transfer of two electrons between the t2 and e orbitals, accompanied by a spin-flip process. The results suggest that TM-doped wideband semiconductors (such as GaN and AlN) may present a new type of light-induced spin-crossover material.     

Effects of GaN cap layer thickness on an AlN/GaN heterostructure

In this study, we investigate the effects of GaN cap layer thickness on the two-dimensional electron gas (2DEG) electron density and 2DEG electron mobility of AlN/GaN heterostructures by using the temperature-dependent Hall measurement and theoretical fitting method. The results of our analysis clearly indicate that the GaN cap layer thickness of an AlN/GaN heterostructure has influences on the 2DEG electron density and the electron mobility. For the AlN/GaN heterostructures with a 3-nm AlN barrier layer, the optimized thickness of the GaN cap layer is around 4 nm and the strained a-axis lattice constant of the AlN barrier layer is less than that of GaN.     

Mn-doped GaN/AlN heterojunction for spintronic devices

We present first principles calculations of Mn-doped GaN/AlN(0001) heterostructures obtained within the framework of density functional theory by using plane wave pseudopotential techniques. We found that for diluted Mn concentration this system present an integer magnetization that is a fingerprint of half-metallic property; this suggests the possibility to use this junction as a spin injector.     

Comparison of electrical characteristic between AlN/GaN and AlGaN/GaN heterostructure Schottky diodes

Ni/Au Schottky contacts on AlN/GaN and AlGaN/GaN heterostructures are fabricated.Based on the measured current–voltage and capacitance–voltage curves,the electrical characteristics of AlN/GaN Schottky diode,such as Schottky barrier height,turn-on voltage,reverse breakdown voltage,ideal factor,and the current-transport mechanism,are analyzed and then compared with those of an AlGaN/GaN diode by self-consistently solving Schrdinger’s and Poisson’s equations.It is found that the dislocation-governed tunneling is dominant for both AlN/GaN and AlGaN/GaN Schottky diodes.However,more dislocation defects and a thinner barrier layer for AlN/GaN heterostructure results in a larger tunneling probability,and causes a larger leakage current and lower reverse breakdown voltage,even though the Schottky barrier height of AlN/GaN Schottky diode is calculated to be higher that of an AlGaN/GaN diode.     

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.     

Influence of AlN Buffer Thickness on GaN Grown on Si(111) by Gas Source Molecular Beam Epitaxy with Ammonia

Hexagonal GaN is grown on a Si(111) substrate with AlN as a buffer layer by gas source molecular beam epitaxy (GSMBE) with ammonia. The thickness of AlN buffer is changed from 9 to 72nm. When the thickness of AlN buffer is 36nm, the surface morphology and crystal quality of GaN is optimal. The in-situ reflection high energy electron diffraction (RHEED) reveals that the transition to a two-dimensional growth mode of AlN is the key to the quality of GaN. However, the thickness of AlN buffer is not so critical to the residual in-plane tensile stress in GaN grown on Si(111) by GSMBE for AlN thickness between 9 to 72nm.     

Determination of the series resistance under the Schottky contacts of AlGaN/AlN/GaN Schottky barrier diodes

Rectangular AlGaN/AlN/GaN heterostructure field-effect transistors (HFETs) were fabricated, and the gate and the source of the HFETs consisted of AlGaN/AlN/GaN Schottky barrier diodes (SBDs). Based on the measured forward current-voltage and the capacitance-voltage characteristics of the AlGaN/AlN/GaN SBDs, the series resistance under the Schottky contacts (R_S) was calculated using the method of power consumption, which has been proved to be valid. Finally, the method of power consumption for calculating R_S was successfully used to study the two-dimensional electron gas electron mobility for a series of circular AlGaN/AlN/GaN SBDs. It is shown that the series resistance under the Schottky contacts cannot be neglected and is important for analysing and characterizing the AlGaN/AlN/GaN SBDs and the AlGaN/AlN/GaN HFETs.     

Nonpolar a-plane GaN grown on r-plane sapphire using multilayer AlN buffer by metalorganic chemical vapor deposition

Mirror-like and pit-free non-polar a-plane (1 1 −2 0) GaN films are grown on r-plane (1 −1 0 2) sapphire substrates using metalorganic chemical vapor deposition (MOCVD) with multilayer high-low-high temperature AlN buffer layers. The buffer layer structure and film quality are essential to the growth of a flat, crack-free and pit-free a-plane GaN film. The multilayer AlN buffer structure includes a thin low-temperature-deposited AlN (LT-AlN) layer inserted into the high-temperature-deposited AlN (HT-AlN) layer. The results demonstrate that the multilayer AlN buffer structure can improve the surface morphology of the upper a-plane GaN film. The grown multilayer AlN buffer structure reduced the tensile stress on the AlN buffer layers and increased the compressive stress on the a-plane GaN film. The multilayer AlN buffer structure markedly improves the surface morphology of the a-plane GaN film, as revealed by scanning electron microscopy. The effects of various growth V/III ratios was investigated to obtain a-plane GaN films with better surface morphology. The mean roughness of the surface was 1.02 nm, as revealed by atomic force microscopy. Accordingly, the multilayer AlN buffer structure improves the surface morphology and facilitates the complete coalescence of the a-plane GaN layer.     

在6H-SiC衬底上用低压MOVPE法生长AlN和GaN的过程中用(AlN/GaN)多层缓冲层来控制残余应力

人们已提出用BAlGaN四元系材料制备紫外光谱区的光发射器件.GaN和AlN二元系是这种四元材料在器件应用中的基础材料.6H-SiC衬底在氮化物生长中因其晶格失配小是一大优势,而且SiC衬底的热膨胀系数也和AlN的很接近.然而,对于AlN外延层来说,需要控制其中的残余应力,因为在SiC衬底上直接生长的AlN外延层中存在着因晶格失配所产生的压缩应力.另一方面,在SiC衬底上直接生长的GaN外延层中存在着拉伸应力.这种拉伸应力起源于GaN比衬底有着更大的热膨胀系数.本文讨论了在6H-SiC衬底上生长的氮化物外延层中残余应力的类型、数量及控制.为此目的,提出了在6H-SiC衬底上,无论是生长AlN,还是生长GaN,都可以采用(GaN/AlN)多层缓冲层的办法,作为控制残余应力的有效方法.我们还讨论了AlN和GaN外延层的结晶质量和残余应力间的关系.     

AlN/蓝宝石模板上生长的GaN研究

研究了在分子束外延制备的AlN/蓝宝石模板上采用金属有机物化学气相外延生长的非故意掺杂GaN的材料性质.采用X射线衍射(XRD)、透射电镜(TEM)和原子力显微镜研究了AlN模板的晶体质量和表面相貌对GaN的影响.结果表明,当AlN的表面粗糙度较小时,尽管AlN模板的位错密度较高((102)面XRD ω扫描半高全宽900—1500 arcsec),但生长得到的GaN依然具有和在蓝宝石衬底上采用"二步法"生长的GaN可比拟的晶体质量((002)面XRD ω扫描半高全宽200—30 关键词： 氮化镓 氮化铝 金属有机物化学气相外延     

国产SiC衬底上利用AIN缓冲层生长高质量GaN外延薄膜

采用高温AlN作为缓冲层在国产SiC衬底上利用金属有机物化学气相外延技术生长GaN外延薄膜.通过优化AlN缓冲层的生长参数得到了高质量的GaN外延薄膜,其对称(0002)面和非对称(1012)面X射线衍射摇摆曲线的半峰宽分别达到130 arcsec和252 arcsec,这是目前报道的在国产SiC衬底上生长GaN最好的...     

Valence band mixing of cubic GaN/AlN quantum dots

We study the spin purity of the hole ground state in nearly axially symmetric GaN/AlN quantum dots (QDs). To this end, we develop a six-band Burt-Foreman Hamiltonian describing the valence band structure of zinc blende nanostructures with cylindrical symmetry and calculate the effects of eccentricity variationally. We show that the aspect ratio is a key factor for spin purity. In typical QDs with small aspect ratio the ground state is essentially a heavy hole (HH) whose spin purity is even higher than that of InGaAs QDs of similar sizes. When the aspect ratio increases, mixing with light-hole (LH) and split-off (SO) subbands becomes important and, additionally, the ground state becomes sensitive to QD anisotropy, which further enhances the mixing. We finally show that, despite the large GaN hole effective mass, an efficient magnetic modulation is feasible in QDs with aspect ratio ~1, which can be used to modify the ground state symmetry and hence the optical spectrum properties.     

第一性原理计算Cu-Cr共掺AlN稀磁半导体

采用基于密度泛函理论的第一性原理平面波超软赝势方法,结合广义梯度（GGA）近似对Cr单掺AlN和Cu-Cr共掺AlN的32原子超原胞体系进行几何结构优化,计算它们的晶格常数,能带结构,电子态密度以及光学性质.结果表明Cr单掺AlN和Cu-Cr共掺AlN均表现为半金属性质,带隙变窄,且Cu-Cr共掺体系自旋极化作用较Cr单掺强,材料表现出良好的铁磁性.共掺杂后,光吸收的范围增宽,体系对长波吸收加强,能量损失明显减小.     

Molecular dynamics simulations of AlN deposition on GaN substrate

ABSTRACT

In this work, we investigated the deposition of AlN film on GaN substrate by using molecular dynamics (MD) simulations. The effects of GaN substrate surface, growth temperature, and injected N: Al flux ratio on the growth of AlN film were simulated and studied. Consequently, the deposited AlN film on the (0001) Ga-terminated GaN surface achieves better surface morphology and crystallinity than that on the (000-1) N-terminated GaN surface due to the different diffusion ability of Al and N adatoms on two GaN surfaces. Furthermore, with the increase of growth temperature, the surface morphology and crystallinity of AlN film were improved owing to the enhanced mobility of adatoms. At the optimised injected N: Al flux ratio of 1, comparatively good surface morphology and crystallinity of deposited AlN films were realised. This method lays a foundation for the follow-up real-time study of defects and stress evolution of AlN on GaN and can be applied to film growth of other materials.     

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.     

First-principles study on improvement of two-dimensional hole gas concentration and confinement in AlN/GaN superlattices

Using first-principles calculations based on density functional theory,we have systematically studied the influence of in-plane lattice constant and thickness of slabs on the concentration and distribution of two-dimensional hole gas(2 DHG)in AlN/GaN superlattices.We show that the increase of in-plane lattice constant would increase the concentration of 2 DHG at interfaces and decrease the valence band offset,which may lead to a leak of current.Increasing the thickness of AlN and/or decreasing the thickness of GaN would remarkably strengthen the internal field in GaN layer,resulting in better confinement of 2 DHG at AlN/GaN interfaces.Therefore,a moderate larger in-plane lattice constant and thicker AlN layer could improve the concentration and confinement of 2 DHG at AlN/GaN interfaces.Our study could serve as a guide to control the properties of 2 DHG at Ⅲ-nitride interfaces and help to optimize the performance of p-type nitride-based devices.     

Studies on the nucleation of MBE grown III-nitride nanowires on Si

GaN and AlN nanowires (NWs) have attracted great interests for the fabrication of novel nano-sized devices. In this paper, the nucleation processes of GaN and AlN NWs grown on Si substrates by molecular beam epitaxy (MBE) are investigated. It is found that GaN NWs nucleated on in-situ formed Si₃N₄ fully release the stress upon the interface between GaN NW and amorphous Si₃N₄ layer, while AlN NWs nucleated by aluminization process gradually release the stress during growth. Depending on the strain status as well as the migration ability of III group adatoms, the different growth kinetics of GaN and AlN NWs result in different NW morphologies, i.e., GaN NWs with uniform radii and AlN NWs with tapered bases.     

AlN缓冲层对Si基GaN外延薄膜性质的影响

采用金属有机化合物化学气相沉积（MOCVD）方法制备了不同AlN缓冲层厚度的GaN样品,研究了AlN缓冲层厚度对GaN外延层的应力、表面形貌和晶体质量的影响。研究结果表明：厚度为15 nm的AlN缓冲层不仅可以有效抑制Si扩散,而且还给GaN外延层提供了一个较大的压应力,避免GaN薄膜出现裂纹。在该厚度AlN缓冲层上制备的GaN薄膜表面光亮、无裂纹,受到的张应力为0.3 GPa,（0002）和（1012）面的高分辨X射线衍射摇摆曲线峰值半高宽分别为536 arcsec和594 arcsec,原子力显微镜测试得到表面粗糙度为0.2 nm。     

Different influences of Schottky metal on the strain and relative permittivity of barrier layer between AlN/GaN and AlGaN/GaN heterostructure Schottky diodes

Ni/Au Schottky contacts on AlN/GaN and AlGaN/GaN heterostructures are fabricated.Based on the measured current–voltage and capacitance-voltage curves,the polarization sheet charge density and relative permittivity are analyzed and calculated by self-consistently solving Schrdinger’s and Poisson’s equations.It is found that the values of relative permittivity and polarization sheet charge density of AlN/GaN diode are both much smaller than the ones of AlGaN/GaN diode,and also much lower than the theoretical values.Moreover,by fitting the measured forward I–V curves,the extracted dislocations existing in the barrier layer of the AlN/GaN diode are found to be much more than those of the AlGaN/GaN diode.As a result,the conclusion can be made that compared with AlGaN/GaN diode the Schottky metal has an enhanced influence on the strain of the extremely thinner AlN barrier layer,which is attributed to the more dislocations.     

The influence of the 1st AlN and the 2nd GaN layers on properties of AlGaN/2nd AlN/2nd GaN/1st AlN/1st GaN structure

Applied Physics A - This is a theoretical study of the 1st AlN interlayer and the 2nd GaN layer on properties of the Al0.3Ga0.7N/2nd AlN/2nd GaN/1st AlN/1st GaN HEMT structure by self-consistently...