Poly-Si1-xGex栅应变SiN型金属-氧化物-半导体场效应管栅耗尽模型研究

基于对Poly-Si_1-xGe_x栅功函数的分析,通过求解Poisson方程, 获得了Poly-Si_1-xGe_x栅应变Si N型金属-氧化物-半导体场效应器件 (NMOSFET)垂直电势与电场分布模型.在此基础上,建立了考虑栅耗尽的Poly-Si_1-xGe_x栅应变Si NMOSFET的阈值电压模型和栅耗尽宽度及其归一化模型,并利用该模型,对器件几何结构参数、 物理参数尤其是Ge组分对Poly-Si_1-xGe_x栅耗尽层宽度的影响, 以及栅耗尽层宽度对器件阈值电压的影响进行了模拟分析.结果表明:多晶耗尽随Ge组分和栅掺杂浓度的增加而减弱, 随衬底掺杂浓度的增加而增强;此外,多晶耗尽程度的增强使得器件阈值电压增大. 所得结论能够为应变Si器件的设计提供理论依据.     

Si1-xGex合金半导体中CiCs和CiOi缺陷随Ge含量的变化

采用从头计算(ab initio)的方法对Si和Si_1-xGe_x合金半导体材料中C_iC_s缺陷的性质进行探讨，同时也对比调查了C_iO_i缺陷在Si和Si_1-xGe_x合金中的性质. 在不同Ge含量的Si_1-xGe_{x相似文献}   

LiFexMn1-xPO4固溶体的密度泛函理论与电化学研究

本文用DFT计算方法研究了LiFe_xMn_1-xPO₄的热力学稳定性和嵌/脱锂电位. 结果表明,LiFe_xMn_1-xPO₄固溶体的自由能比相分离的LiFePO₄/LiMnPO₄混合物略高,这两种形式可能在实际LiFe_xMn_1-xPO₄材料中共存. 计算表明,LiFe_xMn_1-xPO₄固溶体的嵌/脱锂电位随锰/铁比以及过渡金属离子的空间排列而变化,并用计算结果解释了放电曲线的形状. 采用固相反应法合成了LiFe_xMn_1-xPO₄材料并研究了其电化学性质,实验中观察到附加的放电平台,其出现可能与LiFe_xMn_1-xPO₄固溶体的存在有关.     

共轭低聚物中光生分子间电荷转移态的第一性原理研究

本文基于第一性原理中的Heyd-Scuseria-Ernzerh方法研究了单层In_1-xGa_xN的电子结构和光学性质.计算得到单层In_1-xGa_xN的能带结构和态密度（DOS）,发现随着掺杂比例的变化,体系带隙的变化范围是1.8~3.8 eV,表明通过Ga的掺杂可以实现体系带隙值的调节.并且还研究了单层In_1-xGa_xN的介电函数,折射率和吸收系数等光学性质,结果表明随着Ga掺杂浓度的增加,介电函数谱的主峰和吸收谱发生了显著的蓝移.此外,基于能带结构和态密度图谱,对单层In_1-xGa_xN的光学性质进行分析,预测这种材料独特的光学性质在纳米电子学和光学器件中会有广泛的应用.     

氧化还原可逆Nb2TiO7复合阴极电解池高温水蒸气电解研究

系统地研究Nb₂TiO₇与Nb_1.33Ti_0.67O₄材料相互转变的氧化还原循环可逆性能,同时研究Nb2TiO7和Nb_1.33Ti_0.67O₄样品随温度和氧分压变化的电导率,并与复合电极对称电池和电解池的电化学性能相关联. 在830 oC下,对Nb_1.33Ti_0.67O₄复合电极电解池进行水蒸气的电解研究测试. 电流电压曲线和电解池短期性能测试表明在低电压下主要为电极的还原和活化过程;而在高电压下主要为水蒸气的电解. 当3%H₂O/Ar/4%H_{2气体通入阴极时电解池水蒸气电解的法拉第效率为98.9%;而当通入气体转换为3%H2O/Ar时效率为89%.}     

热压制备(AgSbTe2)100-x-(GeTe)x合金的热电性能

以Pb粉、Te粉、Ag粉、Ge粉为原材料,在真空气氛下合成(AgSbTe₂)_100-x-(GeTe)_x (x=80---90) (TAGS)合金热电材料, X射线衍射(XRD)分析表明,热压烧结后合金具有低温菱形结构. 通过热压烧结法将TAGS粉末制备成块体材料,运用XRD和扫描电子显微镜对材料的物相成分、 晶体结构和形貌进行了表征.采用直流四探针法测定样品的电导率,当样品两端的温差为1---4℃ 的情况下测量Seebeck系数.通过材料热电性能测试,研究了30---500℃温度范围内不同组分 样品性能参数的变化.结果表明,所制备的TAGS热电材料具有纳米结构, 其性能随着组分的变化而变化, TAGS-80具有较好的热电性能,在530℃时具有最高热电优值(ZT=1.80).     

Hg1-xCdxTe的共振拉曼散射

当入射光的光子能量接近Hg_1-xCd_xTe的E₀+Δ₀时,发现了Hg_1-xCd_xTe的共振拉曼散射,观察到了“禁戒”共振增强拉曼散射,同时也观察到了二级共振拉曼散射.分析了非共振条件下能在样品的(100)面观察到微弱的“禁戒”TO₂模以及在共振条件下“禁戒”TO₂模大大增强的原因.通过分析,发现由双LO声子引起的二级共振拉曼散射主要     

针状纳米MnxNi0.5-xZn0.5Fe2O4的共沉淀法制备及表征

通过在碱液中共沉淀Mn²⁺、Ni²⁺和Fe²⁺后制备了棒状的前躯体,前躯体于不同温度煅烧后制得了Mn_xNi_0:5-xZn_0:5Fe₂O₄棒状体. 利用X射线衍射仪和透射电镜对棒状体的物相、形貌及粒径进行了表征,并利用振动样品磁强计对磁性能进行研究. 结果表明长径比大于15的棒状,随着x值的增加,Mn_xNi_0:5-xZn_0:5Fe₂O₄样品的直径增加,长度下降,长径比变小,当x=0.5时其直径在50 nm左右而长径比减小到7～8. 随着x值的增加,样品的矫顽力先增加后减少,x值达到0.4时样品的矫顽力再次增加,当煅烧温度为600 oC,x=0.5时样品的矫顽力最大为134.3 Oe. 饱和磁化强度随着x值的增加先增加后减少,当煅烧温度为800 oC和x=0.2时达到最大为68.5 Oe.     

BiFe1-xNbxO3的结构、磁性和光学性质

用溶胶凝胶法制备了Nb掺杂多铁BiFe_1-xNb_xO₃粉晶样品（0 <x <0.05）,研究Nb掺杂对样品的结构、磁学和光学性质的影响。根据XRD图谱和Rietveld精修的结果可知,所有的样品仍保持R3c相,但晶格常数a,c,晶胞体积V和Fe-O-Fe键角发生变化。适当的Nb掺杂使得样品晶粒尺寸减小,导致剩余磁化强度的增强,使得BiFe_1-xNb_xO₃样品的禁带窄化.     

氧非正分La0.9Ba0.1MnO3-δ/SrTiO3:Nb p-n异质结的整流特性研究

利用脉冲激光沉积技术在掺Nb的SrTiO₃衬底上制备了氧非正分La_0.9Ba_0.1MnO_3-δ/SrTiO₃:Nb p-n异质结.在20—300K这一较宽的温度范围内获得了光滑的整流曲线.整流实验表明：该p-n异质结的正向扩散电压V_D随着温度升高在薄膜金属—绝缘转变温度附近出现极大值，表现出与氧正分La_0.9Ba_0.     

Superconducting and magnetic properties of Nb/Pd 1-xFex/Nb triple layers

The superconducting and magnetic properties of Nb/Pd_1-xFe_x/Nb triple layers with constant Nb layer thickness d_Nb=200 ? and different interlayer thicknesses 3 ?≤ d_PdFe ≤ ? are investigated. The thickness dependence of the magnetization and of the superconducting transition temperature shows that for small iron concentration x the Pd_1-xFe_x layer is likely to be in the paramagnetic state for very thin films whereas ferromagnetic order is established for x ≥ 0.13. The parallel critical field B_c2||(T){B_{c2||}}(T) exhibits a transition from two-dimensional (2D) behavior where the Nb films are coupled across the interlayer, towards a 2D behavior of decoupled Nb films with increasing d_PdFeand/or x. This transition allows a determination of the penetration depth x_F{\xi _F} of Cooper pairs into the Pd_1-xFe_x layer as a function of x. For samples with a ferromagnetic interlayer x_F{\xi _F} is found to be independent of x.     

TiN和Ti1-xSixNy薄膜的微观结构分析

使用x射线衍射(XRD)、x射线光电子谱(XPS)、高分辨透射电子显微镜(HRTEM)和原子力显微镜（AFM）多种观测手段分析了TiN薄膜和Ti_1-xSi_xN_y纳米复合薄膜的微观结构.实验分析证明Ti_1-xSi_xN_y薄膜是由直径为3—5nm的纳米晶TiN和非晶Si₃N₄相构成，并且Ti_1-xSi_{x关键词： 纳米复合薄膜 自由能 表面粗糙度 TiN 1-x}Si_xN_y')" href="#">Ti_1-xSi_xN_y     

预注入对Si1-xCx合金形成的影响

室温下在单晶Si中注入(0.6—1.5)at%的C原子,部分样品在C离子注入之前在其中注入²⁹Si⁺离子产生损伤,然后在相同条件下利用高温退火固相外延了Si_1-xC_x合金,研究了预注入对Si_1-xC_x合金形成的影响.如果注入C离子的剂量小于引起Si非晶化的剂量,在950℃退火过程中注入产生的损伤缺陷容易与C原子结合形成缺陷团簇,难于形成Si_1-xC关键词： 离子注入 固相外延 1-xC_x合金')" href="#">Si_1-xC_x合金     

不同剂量C离子注入Si单晶中Si1-xCx合金的形成及其特征

室温下在单晶Si中注入(0.6—1.5)%的C原子,利用高温退火固相外延了Si_1-xC_x合金,研究了不同注入剂量下Si_1-xC_x合金的形成及其特征.如果注入C原子的浓度小于0.6%,在850—950℃退火过程中,C原子容易与注入产生的损伤缺陷结合,难于形成Si_1-xC_x合金相.随注入C原子含量的增加,C原子几乎全部进入晶格位置形成Si_1-xC_{x 关键词： 1-x}C_x合金')" href="#">Si_1-xC_x合金 离子注入 固相外延     

无序二维约瑟夫森结阵列中磁场引起的涡旋玻璃态相变

采用电阻阻错结的无序二维约瑟夫森结阵列模型,数值研究超导薄膜中垂直磁场引起的涡旋运动.通过分析磁场激发产生的涡旋度Ne及低频电压噪声S₀的变化特性,得到如下结论：在无序超导体中固定温度不变,随着磁场的减弱涡旋液态经过准有序的布拉格相,涡旋玻璃相重新进入到低磁场下的钉扎稀磁液相. 由于在涡旋玻璃相中,电流驱动下的噪声值表现出一个峰,表明系统处于无序与有序相互竞争的亚稳态,并且临界电流应有峰值效应. 计算得到噪声值的变化与Okuma等得到的无序超导Mo_xSi_1-x膜实验现象一致,并能解释磁场降低引起的重新进入钉扎的稀磁液相行为. 关键词： 约瑟夫森结阵列 磁通玻璃 重新进入 峰值效应     

Application of nano-scale Josephson junction as phase sensitive detector for analysis of vortex states in mesoscopic superconductors

We study phase shifts in a Josephson junction induced by vortices in superconducting mesoscopic electrodes. The position of the vortices are controlled by suitable geometry of a nano-scale Nb–Pt_1−xNi_x–Nb junction of the overlap type made by Focused Ion Beam (FIB) sculpturing. The vortex is kept outside the junction, parallel to the junction plane. From the measured Fraunhofer characteristics the entrance and exit of vortices are detected. By changing the bias current through the junction at constant magnetic field the vortices can be manipulated and the system can be switched between two consecutive vortex states which are characterized by different critical currents of the junction. A mesoscopic superconductor thus acts as a non-volatile memory cell in which the junction is used both for reading and writing information (vortex). Furthermore, we observe that the critical current density of Nb–Pt_1−xNi_x–Nb junctions decreases non-monotonously with increasing Ni concentration. It exhibits a minimum at ∼40 at.% Ni, which is an indication of switching into the π state.     

Elastic constants and thermodynamic properties of Mg2SixSn1-x from first-principles calculations

<正>This paper stuides the elastic constants and some thermodynamic properties of Mg₂Si_xSn_n-1（x=0,0.25,0.5, 0.75,1） compounds by first-principles total energy calculations using the pseudo-potential plane-waves approach based on density functional theory,within the generalized gradient approximation for the exchange and correlation potential. The elastic constants of Mg₂Si_xSn_n-1 were calculated.It shows that,at 273 K,the elastic constants of Mg₂Si and Mg₂Sn are well consistent with previous experimental data.The isotropy decreases with increasing Sn content.The dependences of the elastic constants,the bulk modulus,the shear modulus and the Debye temperatures of Mg₂Si and Mg₂Si_0.5Sn_0.5 on pressure were discussed.Through the quasi-harmonic Debye model,in which phononic effects were considered,the specific heat capacities of Mg₂Si_xSn_1-x at constant volume and constant pressure were calculated.The calculated specific heat capacities are well consistent with the previous experimental data.     

Field and temperature induced colossal strain in Gd5(SixGe1−x)4

Gd₅(Si_xGe_1−x)₄, known for its giant magnetocaloric effect, also exhibits a colossal strain of the order of 10,000 ppm for a single crystal near its coupled first-order magnetic-structural phase transition, which occurs near room temperature for the compositions 0.41≤x≤0.575. Such colossal strain can be utilised for both magnetic sensor and actuator applications. In this study, various measurements have been carried out on strain as a function of magnetic field strength and as a function of temperature on single crystal Gd₅Si₂Ge₂ (x=0.5), and polycrystalline Gd₅Si_1.95Ge_2.05 (x=0.487) and Gd₅Si_2.09Ge_1.91 (x=0.52). Additionally a giant magnetostriction/thermally induced strain of the order of 1800 ppm in polycrystalline Gd₅Si_2.09Ge_1.91 was observed at its first order phase transition on varying temperature using a Peltier cell without the use of bulky equipment such as cryostat or superconducting magnet.     

The crystal structures and physical properties of the solid solution compound Ba5Y8-xMn4O21-1.5x (x=0, 1)

New oxometallides with the formula Ba5Y8 xMn4O21 1.5x(x = 0,1) are prepared through an atmospherecontrolled solid-state reaction.Two single-phase samples with Ba/Y/Mn atomic ratios 5/8/4(Y8) and 5/7/4(Y7) are obtained.The crystal structures and the physical properties of the compounds are investigated by X-ray powder diffraction,magnetization,conductivity,and dielectricity measurements.The Ba5Y8 xMn4O21 1.5x compound is demonstrated to be a Y-deficient solid solution.The solid solution compound Ba5Y8 xMn4O21 1.5x crystallizes into tetragonal symmetry with the space group I4/m.Detailed structure analysis by Rietveld refinement of the X-ray powder diffraction data reveals that the Y vacancies occur preferentially at the Y(2) site.Thermal magnetization measurements indicate the presence of antiferromagnetic interaction between Mn ions in the compounds,and temperature-dependent resistivity measurements show that insulator-semiconductor transitions occur around 175 K and 170 K for the Y8 and Y7 samples,respectively.Strong frequency dependences of the dielectric constant are observed above ～175 K for the two compounds.