不同邻晶面Hg1-xCdxTe外延薄膜的特性分析

在取向不同的CdTe衬底上用液相外延技术生长了Hg_1-xCd_xTe薄膜，结合金相显微镜、红外显微镜、X射线双晶衍射、红外吸收及Raman光谱等手段分析了不同邻晶面外延层的性质，结果表明，在“近平面”（衬底偏角δ＜0.1°）或“无台阶面”（δ≈1.2°）上生长的外延层的晶格质量及光学性能较好 关键词：     

Sb掺杂Hg1-xCdxTe的光致发光

对不同Sb掺杂浓度Hg_1-xCd_xTe（x≈0.38）样品在3.9—115K的温度范围内进行了光致发光实验测量，观察到与局域激子、带到带和施主受主对有关的辐射复合过程．并用光致发光手段发现Sb掺杂在x≈0.38的Hg_1-xCd_xTe中引入的约30meV的受主能级 关键词：     

Hg1-xCdxTe的低频吸收带

本文对Hg_1-xCd_xTe的低频吸收带,提出另一种解释。把Hg_1-xCd_xTe作为具有0—25％Cd(或Hg)替位杂质的HgTe(或CdTe)晶体,用格林函数计算含有一个Cd(或Hg)的HgTe(或CdTe)双原子链振动谱,进而讨论Hg_1-xCd_xTe混晶振动模的特性,结果表明Hg_1-xCd_xTe在k→0存在频率不趋于零的声学声子,它们有条件吸收远红外波段的光子,形成低频吸收带。它能说明已报道的实验上观察到的低频吸收带的主要特征,并表明对光学声子存在双模行为的其它混晶,在远红外吸收谱中很可能存在类似的低频吸收带。 关键词：     

分子束外延生长的n-Hg1-xCdxTe的磁输运特性

采用迁移率谱和多电子拟合过程相结合的混合电导分析法，对分子束外延（MBE）生长的Hg_1-xCd_xTe材料的变磁场实验数据进行了处理．该方法可以将外延层中体电子对电导的贡献与界面电子的贡献区分开，通过对不同温度下变磁场数据的分析，表明该方法是准确和可靠的，可以成为一种半导体材料和器件的常规电学测试和分析手段 关键词：     

蓝宝石衬底上GaN/AlxGa1-xN超晶格插入层对AlxGa1-xN外延薄膜应变及缺陷密度的影响

室温300K下,由于Al_xGa_1-xN的带隙宽度可以从GaN的3.42eV到AlN的6.2eV之间变化,所以Al_xGa_1-xN是紫外光探测器和深紫外LED所必需的外延材料.高质量高铝组分Al_xGa_1-xN材料生长的一大困难就是Al_xGa_1-xN与常用的蓝宝石衬底之间大的晶格失配和热失配.因而采用MOCVD在GaN/蓝宝石上生长的Al_xGa_1-xN薄膜由于受张应力作用非常容易发生龟裂.GaN/Al_xGa_1-xN超晶格插入层技术是释放应力和减少Al_xGa_1-xN薄膜中缺陷的有效方法.研究了GaN/Al_xGa_1-xN超晶格插入层对GaN/蓝宝石上Al_xGa_1-xN外延薄膜应变状态和缺陷密度的影响.通过拉曼散射探测声子频率从而得到材料中的残余应力是一种简便常用的方法,Al_xGa_1-xN外延薄膜的应变状态可通过拉曼光谱测量得到.Al_xGa_1-xN外延薄膜的缺陷密度通过测量X射线衍射得到.对于具有相同阱垒厚度的超晶格,例如4nm/4nm,5nm/5nm,8nm/8nm的GaN/Al_0.3Ga_0.7N超晶格,研究发现随着超晶格周期厚度的增加Al_xGa_1-xN外延薄膜缺陷密度降低,Al_xGa_1-xN外延薄膜处于张应变状态,且5nm/5nmGaN/Al_0.3Ga_0.7N超晶格插入层Al_xGa_1-xN外延薄膜的张应变最小.在保持5nm阱宽不变的情况下,将垒宽增大到8nm,即十个周期的5nm/8nmGaN/Al_0.3Ga_0.7N超晶格插入层使Al_xGa_1-xN外延层应变状态由张应变变为压应变.由X射线衍射结果计算了Al_xGa_1-xN外延薄膜的刃型位错和螺型位错密度,结果表明超晶格插入层对螺型位错和刃型位错都有一定的抑制效果.透射电镜图像表明超晶格插入层使位错发生合并、转向或是使位错终止,且5nm/8nmGaN/Al_0.3Ga_0.7N超晶格插入层导致Al_xGa_1-xN外延薄膜中的刃型位错倾斜30°左右,释放一部分压应变.     

n-Hg1-xCdxTe的Shubnikov-de Haas振荡

在T=2.3—24K的温度范围里,研究了不同组分的n-Hg_1-xCd_xTe样品的SdH效应。测量了纵向和横向的磁阻振荡峰,能清晰地分辨n>3的自旋分裂峰。由此计算了n-Hg_1-xCd_xTe的能带参数,讨论了导带的非抛物线性和费密能级随磁场的变化对实验结果的影响。 关键词：     

GexSi1-x/Si超晶格的X射线小角衍射分析

用分子束外延生长了23周期的Ge_xSi_1-x/Si超晶格,用计算机控制的衍射仪(CuK_a辐射)测量了X射线衍射曲线,共观察到13级超晶格结构的衍射峰。超晶格的周期和Ge平均含量可以根据考虑折射修正的布喇格定律得出。用光学多层膜反射理论分析衍射曲线可以确定超晶格的结构参数,第2级衍射峰与第一级峰的强度比对应于超晶格两种材料的相对厚度变化非常灵敏,通过比较实验和计算的I₂/I₁值,可以确定Si,Ge_xSi_1-x层的厚度以及合金组份x。用光学多层膜反射理谁计算得到的衍射曲线与实验曲线趋于一致。 关键词：     

高完整GexSi1-x/Si应变超晶格的X射线双晶衍射研究

本文用X射线双晶衍射技术对分子束外延生长的Ge_xSi_1-x/Si应变超晶格的结构参数进行研究,分别采用X射线运动学理论和动力学理论对超晶格的双晶摆动曲线进行计算模拟,得出超晶格的全部结构参数;并对这两种理论计算模拟的结果进行比较,发现这两种理论计算的结果基本一致,只是在细微结构上略有差别,对高完整Ge_xSi_1-x/Si超晶格,用动力学理论计算的曲线更接近于实验曲线。 关键词：     

n-Hg0.80Mg0.20Te界面积累层中二维电子气的输运特性研究

通过变磁场霍耳测量研究了MBE生长的Hg_0.80Mg_0.20Te薄膜在15 —250K温度范围内的输运特性.采用迁移率谱(MS)和多载流子拟合过程(MCF)相结合的方法对 实验数据进行了分析,由该方法获得的结果和Shubnikov de Hass(SdH)振荡测量的结果都证 明材料中存在二维(2D)电子和三维(3D)电子.其中2D电子主要来自于Hg_1-xMgxTe-CdTe的界面积累层或Hg_1-x关键词： 变磁场霍耳测量 界面积累层 二维电子气 1-xMg_xTe')" href="#">Hg_1-xMg_xTe     

MOCVD外延Hg1-xCdxTe/Cd1-yZnyTe薄膜的光致发光

利用Raman显微镜系统对两块用MOCVD方法在Cd_0.96Zn_0.04Te衬底上生长的Hg_0.8Cd_0.2Te外延薄膜样品在光谱范围50～5000cm^-1进行了测量,在其中的一块样品上首次发现了143eV至193eV范围内出现的具有周期结构的光致发光峰,该发光峰对应的能带中心位于Hg_0.8Cd_0.2Te外延层导带底上方173eV,在另外一块外延薄膜样品中仅观察到四个Raman散射峰,没有周期结构的发光峰。为了分析上述光致发光的起因,对两块样品进行了X射线的双晶回摆曲线样品结构分析,得出样品在143eV至193eV范围的光致发光峰是由于改进MOCVD生长工艺提高了样品的结构质量所致,通过分析指出该光致发光峰是来源于Hg_0.8Cd_0.2Te外延层中的阴性离子空位的共振能级。     

用卢瑟福背散射/沟道技术及高分辨X射线衍射技术分析不同Al和In含量的AlInGaN薄膜的应变

利用卢瑟福背散射/沟道技术对在蓝宝石衬底上用金属有机化学气相沉积方法生长的有GaN缓冲层(>2μm)的一系列不同Al和In含量的AlInGaN薄膜进行组分及结晶品质的测量；并结合高分辨X射线衍射技术，通过对AlInGaN的对称(0002)面，及非对称(1015)面的θ—2θ扫描及倒空间扫描，可以精确测定AlInGaN外延层的晶格常数及水平和垂直方向的应变.实验结果表明AlInGaN 薄膜中不同含量Al和In对其应变有较大的影响，结合Vegard定理，对这一现象给出了理论的解释. 关键词： AlInGaN 高分辨X射线衍射 卢瑟福背散射/沟道 弹性应变     

Pb1－xMnxSe薄膜的光学特性

采用分子束外延的方法在BaF₂(111)衬底上制备出了高质量的Pb_1-xMn_xSe(0≤x≤0.0681)薄膜.X射线衍射结果表明，Pb₁-xMn_xSe薄膜为立方相NaCl型结构，没有观察到MnSe相分离现象，薄膜的取向为平行于衬底(111)晶面.晶格常数随着Mn含量的增加逐渐减小，Mn含量由Vegard公式得到.通 关键词： 1-xMn_xSe外延薄膜')" href="#">Pb_1-xMn_xSe外延薄膜 透射光谱 带隙 折射率     

Anomalous ion channeling in AlInN/GaN bilayers: determination of the strain state

Monte Carlo simulations of anomalous ion channeling in near-lattice-matched AlInN/GaN bilayers allow an accurate determination of the strain state of AlInN by Rutherford backscattering or channeling. Although these strain estimates agree well with x-ray diffraction (XRD) results, XRD composition estimates are shown to have limited accuracy, due to a possible deviation from Vegard's law, which we quantify for this alloy. As the InN fraction increases from 13% to 19%, the strain in AlInN films changes from tensile to compressive with lattice matching predicted to occur at [InN] = 17.1%.     

Be-composition effect on structure, electronic and optical properties of BexZn1-xO alloys

This paper carries out first principles calculation of the structure,electronic and optical properties of Be x Zn 1 x O alloys based on the density-functional theory for the compositions x = 0.0,0.25,0.5,0.75,1.0.The lattice constants deviations of alloys obey Vegard’s law well.The Be x Zn 1 x O alloys have the direct band gap(Γ-Γ) character,and the bowing coefficients are less than the available theoretical values.Moreover,it investigates in detail the optical properties(dielectric functions,absorption spectrum and refractive index) of these ternary mixed crystals.The obtained results agree well with the available theoretical and experimental values.     

Composition-induced structural modifications in the quaternary CuIn1-xGaxSe2 thin films： bond properties versus Ga content

In this paper the dependence of structural properties of the quaternary CuIn1-xGaxSe2 films with tetragonal structure on the Ga content has been systematically investigated by Raman scattering and x-ray diffraction spectra. The shift of the dominant A1 mode, unlike the lattice constants, does not follow the linear Vegard law with increasing Ga content x, whereas exhibits approximately polynomial change from 174 cm^-1 for CuInSe2 to 185 cm^-1 for CuGaSe2. Such behaviour should be indicative of presence of the asymmetric distribution of Ga and In on a microscopic scale in the films, due to Ga addition. The changes in the tetragonal distortion η lead to a significant variation in the anion displacement parameter U, which should be responsible for the evolution of bond parameters and resultant Raman bands with x.     

MOCVD生长的InGaN薄膜中InN分凝的研究

利用X射线衍射(XRD)技术测量了MOCVD生长的InGaN薄膜中的InN分凝量.利用Vegard定理和XRD 2θ扫描测得实验的InGaN薄膜的In组分为0.1～0.34.通过测量XRD摇摆曲线的InN(0002)和InGaN(0002)的积分强度之比测得InN在InGaN中的含量为0.0684%～2.6396%.根据XRD理论,计算出InN和InGaN的理论衍射强度.InN含量在所有样品中均小于3%,这表明样品的相分离度比较低.还发现InN在InGaN薄膜中的含量与氮气载气流量和反应室气压明显相关.     

Room temperature growth of InxGa1−xN thin films by mixed source modified activated reactive evaporation

Polycrystalline In_xGa_1−xN thin films were prepared by mixed source modified activated reactive evaporation (MARE) technique. The films were deposited at room temperature on glass substrates without any buffer layer. All the films crystallize in the hexagonal wurtzite structure. The indium concentration calculated from XRD peak shift using Vegard's law was found to be varying from 2% to 92%. The band gap varies from 1.72 eV to 3.2 eV for different indium compositions. The indium rich films have higher refractive indices as compared to the gallium rich films. The near infra-red absorption decreases with gallium incorporation into InN lattice which is mainly due to decrease in the free carrier concentration in the alloy system. This fact is further supported from Hall effect measurements. MARE turns out to be a promising technique to grow In_xGa_1−xN films over the entire composition range at room temperature.     

BxGa1-xAs合金电子结构与光学性质的第一性原理计算

基于密度泛函理论的第一性原理和特殊准随机近似方法,建立64原子的超胞并且对结构进行几何优化.计算和讨论具有闪锌矿结构的三元合金B_xGa_1-xAs的结构参数、电子结构和光学性质.结果表明：B_xGa_1-xAs的晶格常数与使用Vegard定理计算得到的值有微弱的偏离,键长存在明显的弛豫;计算得到的合金带隙弯曲参数变化较小（2.57 eV-5.01 eV）而且对组分变化的依赖很弱;最后分析硼的并入对GaAs光学参数包括介电函数、反射率、折射率、吸收系数和能量耗散函数的影响.     

Structural, electronic, thermodynamic and optical properties of SrS1−xOx mixed crystals

The structural, electronic and thermodynamic properties of the SrS_1–xO_x ternary mixed crystals have been studied using the ab initio full potential linearized augmented plane wave (FP-LAPW) method within density functional theory. The effect of composition on lattice parameter, bulk modulus and band gap was investigated. The lattice constants from Vegard's law and the bulk modulus from linear concentration dependence were observed for the alloys. The microscopic origins of the gap bowing were explained by using the approach of Zunger and co-workers. The thermodynamic stability of these alloys was investigated by calculating the excess enthalpy of mixing ΔH_m as well as the phase diagram. In addition to FP-LAPW method, the composition dependence of the refractive index and the dielectric constant was studied by different models.     

Heusler合金Li2AlX(X=Ga，In)的晶格动力学和电子特性

本文计算了Heusler合金Li₂AlGa和Li₂AlIn的晶格参数、体积模量、体积模量的一阶导数、 电子能带结构、声子色散曲线和声子态密度,并与密度泛函理论中的广义梯度近似计算结果进行比较. 计算的晶格参数与文献有很好的一致性. 两个Heusler合金的电子能带结构表明它们是半金属结构. 并利用声子色散曲线和声子密度图研究Heusler合金晶格动力学. Li₂AlGa和Li₂AlIn Heusler合金在基态呈现动力学稳定.