应变对PbSe材料晶格振动的影响

在晶格失配的BaF2衬底上用分子束外延技术生长了不同厚度的PbSe单晶薄膜,PbSe外延薄膜的喇曼光谱测量到:位于136～143cm-1之间的布里渊区中心纵光学声子(LO)振动,位于83～88cm-1之间的纵光学声子与横光学声子的耦合模(LO-TO)振动,以及位于268～280cm-1之间的2LO声子振动.而且PbSe薄膜的LO声子频率随薄膜厚度的不同明显移动,随着薄膜的厚度减小声子频率线性增大,这是由外延膜与衬底之间的失配应力不同引起的.为了理解PbSe声子振动模喇曼活性的物理原因,还比较分析了PbSe体单晶的喇曼光谱,同样,PbSe体单晶样品也呈现出喇曼活性的散射峰.     

CdSe／ZnTe超晶格微观界面模的多声子喇曼光谱研究

在ＣｄＳｅ／ＺｎＴｅ超晶格中观察到了超晶格的微观界面模的基础上，本文主要研究了这种微观界面模的多声子散射，结果表明我们首次观察到了达４级的微观界面模的多声子喇曼散射，它具有不同于光学类体模多声子谱的光谱特征及共振行为，通过分析，我们认为这种不同正是微观界面模具有强烈的局域特性的反映．     

PbSe外延薄膜空穴迁移率及其声子散射机理

采用分子束外延技术生长了非人为掺杂的PbSe单晶薄膜,研究了薄膜中声子散射对空穴迁移率的影响.并用霍尔效应和变温电阻率测量方法分析了电学特性,得到PbSe薄膜均具有P型导电性,载流子浓度为(5～8)×1017cm-3,室温空穴迁移率为～300cm2/(V·s),随温度降低迁移率增大,77K温度下的迁移率达到3×10cm2/(V·s).通过对PbSe薄膜中的载流子散射机理的理论分析,表明在77～295K温度范围内,PbSe的长纵光学波散射是影响载流子迁移率的主要机制.同时,Raman光谱测量显示,在温度≥203K时,不仅观察到了PbSe长纵光学声子散射LO(Г),还观察到了其他光学声子的散射,这些观察到的声子散射影响了PbSe的空穴迁移率.     

PbSe外延薄膜空穴迁移率及其声子散射机理

采用分子束外延技术生长了非人为掺杂的PbSe单晶薄膜,研究了薄膜中声子散射对空穴迁移率的影响.并用霍尔效应和变温电阻率测量方法分析了电学特性,得到PbSe薄膜均具有P型导电性,载流子浓度为(5～8)×1017cm-3,室温空穴迁移率为～300cm2/(V·s),随温度降低迁移率增大,77K温度下的迁移率达到3×10cm2/(V·s).通过对PbSe薄膜中的载流子散射机理的理论分析,表明在77～295K温度范围内,PbSe的长纵光学波散射是影响载流子迁移率的主要机制.同时,Raman光谱测量显示,在温度≥203K时,不仅观察到了PbSe长纵光学声子散射LO(Г),还观察到了其他光学声子的散射,这些观察到的声子散射影响了PbSe的空穴迁移率.     

Ga_(1-x)Al_xP混晶的长波长光学声子谱

本文报道Ga_(1-x)Al_xP混晶的室温喇曼散射测试结果。所用的样品用液相外延方法生长在〈111〉晶向的GaP衬底上。混晶组分x值在0.16—0.65之间。实验结果表明,Ga_(1-x)Al_xP混晶的长波长光学声子谱呈现双模行为,具有类GaP和类AIP两个光学支。     

用喇曼光谱表征锗硅应变层超晶格

对Ge_xSi_(1-x)/Si超晶格的喇曼光谱研究表明,这类样品中各层间的应力分配取决于缓冲层组分。合金层中的Ge—Si峰峰移δω随组分x或应变ε作线性变化。对Ge_n/Si_n(n为原子层数)超晶格的喇曼光谱研究表明,在n=4的超薄层超晶格中,锗硅界面互混程度较小,并发现样品的生长温度对其质量有决定性影响。     

CdTe/ZnTe超晶格的多声子共振喇曼谱研究

用共振喇曼散射研究了CdTe/ZnTe应变层超晶格的多声子谱.实验结果表明,我们首次观察到了多达10级的ZnTeLO的多声子喇曼散射,和反映超晶格结构的子带跃迁介入多声子共振喇曼散射过程的实验现象.     

分子束外延低温生长GaAs的Raman光谱研究

我们对从ＧａＡｓ衬底剥离下来的低温下分子束外延生长的ＧａＡｓ（ＬＴＧ－ＧａＡｓ）薄膜进行了喇曼光谱测量，研究了不同温度下生长的ＬＴＧ－ＧａＡｓ在退火前后晶体完整性的变化．我们首次观测到了１９０℃生长样品中Ａｓ沉淀物所引起的喇曼峰，并证明８００℃快速热退火３０秒后产生的Ａｓ沉淀物是无定形Ａｓ．     

GaAs／AlxGa1—xAs和AlxGa1—xAs／AlAs超晶格的喇曼散射对比研究

报道不同层厚的ＡｌＡｓ／ＡｌｘＧａ１－ｘＡｓ及ＧａＡｓ／ＡｌｘＧａ１－ｘＡｓ短周期超晶格的纵光学声子模的室温喇曼散射测量结果．在非共振条件下,观察到ＡｌＡｓ／ＡｌｘＧａ１－ｘＡｓ中限制在ＡｌｘＧａ１－ｘＡｓ混晶层中的类ＧａＡｓＬＯ限制模和限制在ＡｌＡｓ层中的ＡｌＡｓＬＯ限制模,还观察到ＧａＡｓ／ＡｌｘＧａ１－ｘＡｓ中限制在ＡｌｘＧａ１－ｘＡｓ混晶层中的类ＡｌＡｓＬＯ限制模和限制在ＧａＡｓ层中的ＧａＡｓＬＯ限制模．在近共振条件下,还观察到了ＡｌＡｓ／ＡｌｘＧａ１－ｘＡｓ中ＡｌＡｓ的界面模．根据线性链模型,把测量的ＬＯ限制模的频率按照ｑ＝ｍｎ＋１２πα０展开,给出了ＡｌｘＧａ１－ｘＡｓ混晶的类ＡｌＡｓ支和类ＧａＡｓ支光学声子色散曲线．     

纳米硅薄膜的Raman光谱

通过等离子增强化学气相沉积法 ,制备了本征和掺磷的氢化纳米硅薄膜 (nc- Si:H) ,研究了晶粒尺寸和掺杂浓度对纳米硅薄膜喇曼谱的影响 .结果表明晶粒变小和掺杂浓度增加都使纳米晶粒的 TO模峰位逐渐偏离声子限制模型的计算值 .X射线衍射和高分辨电镜像的结果表明晶粒变小导致硅晶粒应力增加 ,而掺杂使晶粒内部杂质和缺陷增多 ,这些因素破坏了晶粒内晶格的平移对称性 ,进一步减小声子的平均自由程 ,导致实验值偏离理论计算值 .晶格平移对称性的破缺还体现在 ,随晶粒尺寸减小或掺杂浓度增加 ,喇曼谱中 TA、LA振动模的相对散射强度增加 .     

Properties of the PbSe diode laser

Diode laser action has been obtained at 8.5μ with PbSe. This laser is of potential interest for terrestrial communications since its emission is in the 8-to-14-μ atmospheric window, a spectral region of high atmospheric transparency where attenuation due to scattering by haze is low. Fabrication techniques are described which are based on controlling carrier type and concentration by adjusting the Pb:Se ratio. Below threshold for laser action, the emission exhibits two spectral peaks, one near 8.5μ which increases superlinearly with current and another near 10.1μ which increases slowly with current. Laser action associated with the 8.5μ peak is observed above a threshold Current density of 2000 A cm^-2. From measurements which did not resolve the cavity mode structure, the emission peak was found to shift to higher energies in a [100] oriented magnetic field at the rate of7.1 times 10^{-8}eV per gauss, or 17 Mc/s per gauss. This is the expected shift if the emission is associated with band-to-band transitions. The threshold current decreased to a fraction of its zero field value in a magnetic field of approximately 10 kilogauss, then increased slowly with higher fields.     

First-Principles Study of Electronic, Elastic, and Lattice Vibrational Properties of Pbnm Orthorhombic SrHfO3

Through first-principles pseudopotential calculations based on density functional theory, the electronic structure and lattice vibrational properties of Pbnm orthorhombic SrHfO₃ were investigated in the framework of standard functional approximation and density functional perturbation theory, respectively. The calculated equilibrium lattice constants of Pbnm orthorhombic SrHfO₃ are in good agreement with available experimental and theoretical results. The results show that Pbnm orthorhombic SrHfO₃ is an insulator with a direct band gap of 3.9 eV and 4.0 eV within the calculations using local density approximation (LDA) and generalized gradient approximation (GGA), respectively. Use of the screened exchange local density approximation (sX-LDA) as a functional in a successive band calculation has also been performed. The band gap is predicted to be 6.7 eV within sX-LDA, somewhat higher than the gap values of 6.1 ± 0.1 eV and 6.5 eV obtained from recent x-ray photoelectron spectroscopy. The phonon dispersion curves of Pbnm orthorhombic SrHfO₃ were also calculated. All-positive phonon frequencies were observed in the whole Brillouin zone, indicating stability of the Pbnm orthorhombic SrHfO₃ structure. In addition, the infrared-active and Raman-active vibrational modes of SrHfO₃ were calculated and compared with available theoretical and experimental investigations.     

PLD法制备PbSe薄膜的性能分析

通过脉冲激光沉积(PLD)法在Si(111)和SiO2玻璃基片上制备了PbSe薄膜。X射线衍射、X射线能谱、原子力显微镜、傅里叶变换红外光谱仪测试结果表明：所有制备的薄膜都为多晶薄膜,发现薄膜生长温度对薄膜衍射峰有一定影响;PLD法制备的薄膜的成分与靶材的基本一致,实现了同组分沉积;所有薄膜表面比较平滑,表面不平整度小于200nm,结构比较致密;PbSe薄膜对红外光具有敏感的响应特性;在波长为5μm处存在有明显的吸收边,此吸收边对应于直接带隙PbSe材料的禁带宽度;对应于波长小于5μm的红外光,PbSe薄膜存在有明显的强吸收。     

Effect of oxidation on the thermoelectric properties of PbSe thin films

The effect of oxidation at room temperature on the thermoelectric properties of PbSe/KCl (001) thin films prepared by thermal evaporation was investigated. The dependences of the electrical conductivity, the Hall coefficient, charge carrier mobility, and thermopower on the PbSe layer thickness (d=4–200 nm) were obtained. An inversion of the sign of the dominant carriers from n to p at d∼80 nm was observed under decreasing d. The d dependences of the thermoelectric properties were interpreted, taking into consideration the oxidation processes at the film/air interface within the framework of models considering both n-type and p-type carriers.     

外压调制对Cr-Se共掺杂单层MoS2光电特性的影响

采用基于第一性原理的贋势平面波方法,对比研究了Cr-Se共掺杂单层MoS2未施应变和(0001)面施加应变的光电特性。计算结果表明:未施加应变体系属直接带隙半导体,张应变下体系的带隙值随应变增加而减小,压应变下带隙值随应变增加先增加后减小,在应变为-6%时转化为Γ-M间接带隙半导体,带隙值达到极大值1.595eV;介电函数和折射率随张应变的增加而增加,随压应变增加先减小后增大,在压应变为-6%时达到极小值3.627和1.905;光电导率和能量损失函数随张应变增加而减小,随压应变增加先增加后减小,应变分别为-5%和-2%时达到极大值2.588和9.428。可见,应变能更精细地调制Cr-Se共掺杂单层MoS2的光电特性。     

Effects of High-Pressure High-Temperature Sintering on the Band Gap and Thermoelectric Properties of PbSe

In this study, PbSe bulk samples were prepared by a high-pressure high-temperature (HPHT) sintering technique, and the phase compositions, band gaps and thermoelectric properties of the samples were systematically investigated. The sintering pressure exerts a significant influence on the preferential orientation, band gap and thermoelectric properties of PbSe. With increasing pressure, the preferential orientation decreases, mainly due to the decreased crystallinity, while the band gap first decreases and then increases. The electrical conductivity and power factor decrease gradually with increasing pressure, mainly attributed to the decreased carrier concentration and mobility. Consequently, the sample prepared by 2 GPa shows the highest thermoelectric figure-of-merit, ZT, of 0.55 at ～ 475 K. The ZT of the HPHT-sintered PbSe could be further improved by properly doping or optimizing the HPHT parameters. This study further demonstrates that the sintering pressure could be another degree of freedom to manipulate the band structure and thermoelectric properties of materials.     

Size Effects in Transport Properties of PbSe Thin Films

This paper presents an overview and analysis of our earlier obtained experimental results on the dependences of kinetic properties of single PbSe quantum wells and PbSe-based superlattices on the PbSe layer thickness d. The observed oscillatory character of these dependences is attributed to quantum size effects due to electron or hole confinement in quantum wells. Some general regularities and factors that determine the character of these quantum size effects are established. The influence of the oxidation processes and doping on the d-dependences of the transport properties is revealed. A periodic change in the conductivity type related to quantum size oscillations is detected. It is shown that the experimentally determined values of the oscillation period Δd are in good agreement with the results of theoretical calculations based on the model of a rectangular quantum well with infinitely high walls, taking into account the dependence of the Fermi energy ε _F on d and the availability of subbands below ε _F. It is established that the Δd value for the superlattices is practically equal to the Δd value observed for the single PbSe thin film.     

Electronic and Lattice Vibrational Properties of Cubic SrHfO<Subscript>3</Subscript> from First-Principles Calculations

The electronic structure and lattice vibrational properties of cubic SrHfO₃ were investigated by first-principles calculations based on density functional theory in the framework of the local density approximation (LDA), generalized gradient approximation (GGA), and density functional perturbation theory (DFPT), respectively. The calculated equilibrium lattice constant of cubic SrHfO₃ is in good agreement with available experimental and theoretical results. The results show that cubic SrHfO₃ is an insulator with an indirect LDA (GGA) band gap of 3.6 (3.7) eV. Use of the screened exchange local density approximation (sX-LDA) as a functional in successive band calculation has also been performed. The band gap is predicted to be 6.27 eV within sX-LDA, in excellent agreement with the gap value of 6.1 ± 0.1 eV obtained from x-ray photoelectron spectroscopy. The phonon dispersion curves and LO–TO splitting of cubic SrHfO₃ were also calculated. Negative phonon frequencies were observed along the M–Γ–R–M line in the Brillouin zone, indicating instability of the SrHfO₃ structure, consistent with previous theoretical investigation.     

Comparative Study on the Properties of Galvanically Deposited Nano- and Microcrystalline Thin Films of PbSe

Thin films of PbSe having both nano- and microstructures have been deposited on transparent conducting oxide (TCO)-coated glass substrates electrochemically, from an aqueous solution of Pb(OAc)₂, ethylenediamine tetraacetic acid (EDTA), and SeO₂. A Pb strip acted as the sacrificial anode, while the TCO glass was the cathode. No external bias was applied. The formation of PbSe was pH sensitive, and pH ~3 was found to be optimum for film deposition. Films grown at room temperature (25°C) were nanocrystalline (~25 nm), while those deposited at 80°C were microcrystalline (~150 nm). Films were characterized by x-ray diffraction studies, field-emission scanning electron microscope image analysis, infrared spectral analysis, and by both alternating-current (a.c.) and direct-current (d.c.) electrical measurements. A blue-shift was observed for the nanocrystalline films. Film resistivity and junction properties were obtained from electrical measurements.