GaN和GaN:Mg外延膜低温拉曼谱的对比研究

对液氮温度下六方相GaN和掺Mg的P型GaN薄膜的拉曼谱进行了对比研究。除对两个样品中主晶格振动模进行了对比分析外,着重讨论了位于247 cm-1的散射峰的产生机制。结果表明GaN:Mg的谱中该峰的散射强度随温度升高先增大再减小,在500K以上消失且对样品重新降温到78K观察此峰不再出现,因此认为它是缺陷产生的振动模。而GaN样品中经同样加热降温的过程此峰仍然存在,说明两个样品中该峰的产生机制不同。此外,在GaN:Mg的谱中还观察到Mg诱导的局域振动模。     

聚噻吩中双电子极化子附近的二维局域振动模

将聚噻吩的一维SSH孤子模型推广到二维平面,研究了聚噻吩双电子极化子附近的二维局域振动模.计算结果表明双电子极化子附近存在15个局域振动模,其中4个奇宇称模与4条强红外吸收谱线1020,1120,1200,1323cm^-1相对应,4个偶宇称模恰与4条Raman吸收峰700,1047,1175,1220cm^-1一致. 关键词：     

具有非线性缺陷的光子晶体的局域模

采用传输矩阵的方法，严格导出一维具有克尔非线性缺陷的光子晶体的局域模频率方程。局域模频率依赖于局域光强。取负克尔系数时，随着局域光强的增加，局域模频率从下带边出现，在带隙间上升，最后消失在上带边。在给定人射光频率下，随着人射光强的变化，系统呈现出双稳态。这种光学稳态性质则由局域模频率的移动引起的。     

多肽和蛋白质酰胺-I带振动频率图的温度依赖性

利用高温分子动力学模拟和红外光谱实验手段,研究了一个基于分子力学力场的酰胺-I带振动频率图的温度依赖性. 结果表明,基于298 K所建立的频率图可以应用上至500 K的分子动力学轨迹,所模拟的红外光谱能够很好地重复88 oC时的实验光谱. 另外还模拟了两个含有天然和非天然氨基酸残基的三肽分子的红外光谱,与实验结果相比得到了较好的符合. 结果表明,所建立的频率图能够用于获得多肽体系在不同温度下的酰胺-I带局域模振动频率及其分布,有助于深入认识多肽的热去折叠物种的红外光谱特征.     

一维单原子链中杂质引起的局域振动模

讨论了一维单原子链中杂质引起的晶格局域振动模和局域振动图像,分析了杂质质量和杂质近邻力常数对振动模的影响,通过数值求解晶格振动运动方程组．给出了局域振动模关于杂质质量和杂质近邻力常数分布的相图;分析了含杂质晶格振动模频率相对于完整晶格振动模频率的变化。     

链间耦合对反式聚乙炔中孤子能谱及其局域振动模的影响

从计及了链间相互作用项的ＳＳＨ模型出发，讨论了相邻两条链间电子跃迁对反式聚乙炔中孤子能谱及孤子附近的局域振动模的影响，结果发现：（１）孤子能级偏离了禁带中心，能谱的对称性被破坏。（２）局域振动模发生劈裂，劈裂后两模的振动位形具有与原模相同的结构，但它们的频率和最大振幅均不同于原局域模。另外，模的频率还与两条链上的孤子类型以及链的相对序列有关。 关键词：     

YBa2Cu3O7—δ中Cu—O伸缩振动的红外吸收峰

根据YBa_2Cu_3O_(7-δ)超导定向膜经不同温度退火后的红外反射光谱和不同掺Zn量的YBa_2Cu_(3-z)Zn_xO_(7-δ)的红外吸收光谱在500-700厘米~(-1)特征峰的变化,进一步讨论了YBa_2Cu_3O_(7-δ)中Ba-Ba层间和Y-Ba层间Cu-O键伸缩振动的三个红外吸收峰强度变化的本质。用红外入射光穿透深度随Y系样品电阻率提高而增大和对应二维CuO_2网络中Cu-O反称振动吸收的590厘米~(-1)峰强度变化不受氧缺位影响的事实,说明590厘米~(-1)的吸收峰不是氧缺位诱导的准局域振动模。同时对620厘米~(-1)和550厘米~(-1)吸收峰的解释也给予了必要的补充和验证。     

一种多频局域共振型声子晶体板的低频带隙与减振特性

设计了一种多频局域共振型声子晶体板结构, 该结构由一薄板上附加周期性排列的多个双悬臂梁式子结构而构成. 由于多个双悬臂梁式子结构的低频振动与薄板振动的相互耦合作用, 这种局域共振型板结构可产生多个低频弯曲波带隙(禁带); 带隙频率范围内的板弯曲波会被禁止传播, 利用带隙可以实现对薄板的多个目标频率处低频减振. 本文针对这种局域共振型板结构进行了简化, 并基于平面波展开法建立了其弯曲波带隙计算理论模型; 基于该模型, 结合具体算例进行了带隙特性理论分析. 设计、制备了一种存在两个低频弯曲波带隙的局域共振型板结构样件, 通过激光扫描测振仪测试证实该结构存在两个低频带隙, 在带隙频率范围的板弯曲振动被显著衰减.     

MOCVD生长的GaN和GaN:Mg薄膜的拉曼散射

通过显微拉曼散射对用金属有机化学气相沉积(MOCVD)法在Al2O3衬底上生长的六方相CaN和掺Mg的P型GaN薄膜进行了研究。在两个样品的拉曼散射谱中同时观察到位于640,660cm^-1附近的两个峰。640cm^-1的峰归因于布里渊区边界(L点)最高声学声子的二倍频,而660cm^-1的峰为布里渊区边界的光学声子支或缺陷诱导的局域振动模。掺Mg的GaN在该处的峰型变宽是Mg诱导的缺陷引起的加宽或Mg的局域模与上述两峰叠加的结果。在掺Mg的样品中还观察到276,376cm^-1几个局域模并给予了解释。同时掺Mg的GaN中出现了应力弛豫的现象,掺Mg引起的失配位错和电子-声子相互作用都有可能对E2模的频率产生影响。     

异丙醇的O-H伸缩振动泛频光谱和分子构像

使用高灵敏的光腔衰范光谱（Ｃａｕｉｔｙ Ｒｉｎｇ Ｄｏｗｎ Ｓｐｅｃｔｒｏｓｃｏｐｙ）技术测出了异丙醇的Ｏ－Ｈ伸缩ｖ＝４、５振动泛频光谱,每个技动能级都有三个吸收峰,被归属为分子构像的Ｏ－Ｈ伸缩泛叔汲收,给出了光腔衰范光谱的振动泛频吸收的振动谱强度公式,并求得分子不同构在不同振动能级的Ｏ－Ｈ伸缩局域模振子的机械频率（Ｘ１）、非谐性（Ｘ２）以及解离能（Ｄ）,用浓度泛函（ＤＦＴ）Ｂ３ＬＹＰ／６－３１＋     

The Features of Infrared Absorption of the Protein Molecules in the Living System

We utilize a vibron-soliton model for amide-I vibrational quanta interacting with optical phonons to study the feature of infrared absorption of the protein molecules with finite temperatuse.The self-trapping of amide-Ik vibrational quantum results in red shift of the main peak and largely anomalous band to occur in the infrared absorption for the protein molecules.utilizing the concise model of vibron and improved theory of color centers we have given theoretically the value of red shifts of the main peak and the intensity of anomalous band in infrared absorption,respectively,the latter reduces with increasing temperature which is consistent with the experimental result.     

Laser cooling with electromagnetically induced transparency: application to trapped samples of ions or neutral atoms

A novel method of ground-state laser cooling of trapped atoms utilizes the absorption profile of a three- (or multi-) level system that is tailored by a quantum interference. With cooling rates comparable to conventional sideband cooling, lower final temperatures may be achieved. The method was experimentally implemented to cool a single Ca⁺ ion to its vibrational ground state. Since a broad band of vibrational frequencies can be cooled simultaneously, the technique will be particularly useful for the cooling of larger ion strings, thereby being of great practical importance for initializing a quantum register based on trapped ions. We also discuss its application to different level schemes and for ground-state cooling of neutral atoms trapped by a far-detuned standing wave laser field. Received: 10 July 2001 / Published online: 23 November 2001     

Temperature dependence of the local mode in the vibronic spectrum of SrTiO3:Cr3+

The local vibrational mode exhibited by chromium impurity ions in strontium titanate has been investigated using vibronic spectroscopy. The temperature dependent characteristics of the mode are attributed to anharmonic interactions with lattice phonons. Line broadening contributions are made by both a decomposition mechanism and inelastic phonon scattering. Elastic phonon scattering processes can explain the line shift while multiphonon emission causes the integrated intensity to decrease. The results are compared with previous local mode investigations made on alkali halides by i.r. absorption spectroscopy.     

Optical,structural, enhanced local vibrational and fluorescence properties in K-doped ZnO nanostructures

We studied structural, optical and vibrational properties of K-doped ZnO nanostructures. X-ray diffraction studies reveal that the prepared particles are hexagonal wurtzite in structure. Increase in lattice parameters and unit cell volume is observed after K doping. Dopant influences on stress, strain of the system are studied using W–H plots. Band gap variation by doping of K is identified from optical absorption studies. Photoluminescence studies have given insight into the enhancement in blue emission observed by K doping along with the near band emission of nano ZnO. From Fourier transform infrared spectral measurements, K-related local vibration mode is observed along with the information related to influence of doping on characteristic vibrational modes of ZnO.     

Local bond breaking via STM-induced excitations: the role of temperature

We discuss the influence of temperature on local bond breaking through multiple vibrational excitations induced by inelastic tunneling in the STM. We focus on hydrogen desorption from the H---Si(111) and H---Si(100) systems, but the results are general. The substrate temperature affects the desorption yield in two important ways: first, lowering the temperature increases the H---Si vibrational energy relaxation time, resulting in a higher effective adsorbate temperature and an increased desorption yield. Second, lowering the substrate temperature decreases the dephasing rate of the H---Si modes (manifested by a decrease of the infrared absorption linewidth), which then reduces the rate of incoherent (Förster) vibrational energy transfer away from the Stark-shifted H---Si mode under the tip. This increases the localization of the vibrational energy and enhances the probability for multiple vibrational excitation and desorption. Finally, we discuss the possible implications of our findings on the mechanism of MOS device degradation by hot electrons.     

On the absorption saturation in the vibrational-rotational bands of molecules

Analytical expressions describing saturation of the stationary absorption coefficient in a vibrational-rotational band in the spectrum of a molecular gas are obtained taking into account that many other bands are involved in the absorption process as well. The formulas are derived for an arbitrary spectral composition of the pumping radiation with an allowance for a difference between the rotational and vibrational relaxation rates and between the relaxation rates of the lower and upper vibrational levels. The influence of saturation on the appearance of the partial inversion and the negative absorption effects is considered. The general formulas are simplified and the vibrational and rotational contributions to the saturation are separated within the frame-work of the local Elsasser model for the rotational band structure. Explicit relationships between the dimensionless parameters describing the vibrational and rotational saturation mechanisms are obtained and analyzed, and conditions under which one of these mechanisms is dominating are determined. Particular calculations were performed for the (000)–(010) and (000)–(001) absorption bands of the O₃ molecule and features of the saturation effect in these bands were established.     

Calculating vibrational mode contributions to sound absorption in excitable gas mixtures by decomposing multi-relaxation absorption spectroscopy

Sound relaxational absorption spectroscopy of excitable gas mixtures is potentially applied for gas composition detection. The relaxation of vibrational modes of gas molecules determines the sound relaxational absorption. However, to our knowledge, the contribution of each vibrational mode available in gas mixtures to sound multi-relaxation absorption has not been calculated in existing literature. In this paper, based on the decoupled expression of the effective isochoric molar heat for a gas mixture, a sound multi-relaxation absorption spectrum is decomposed into the sum of single-relaxation spectra. From this decomposable characteristic, the contribution of each vibrational mode available in the gaseous medium to the multi-relaxation absorption is obtained at room temperature. For various gas compositions including carbon dioxide, methane, nitrogen etc., the calculated contributions of vibrational modes are verified by the comparison with experiment data. We prove the following views with quantifiable outcomes that the primary molecular relaxation process associated with the lowest mode plays the major role in acoustic relaxational absorption of gas mixtures; the mode with lower vibrational frequency provides higher contribution to the primary relaxation process. This work could provide a deeper insight into the relationship between the sound relaxational absorption spectroscopy and gas molecules.     

The sub-bandgap energy loss satellites in the RIXS spectra of beryllium compounds

Resonant X-ray inelastic scattering spectra have been measured in BeO, phenakite (Be₂SiO₄) and chrysoberyl (BeAl₂O₄) with the excitation energy near the beryllium K edge.The RIXS spectra excited in the vicinity of the Be 1s core resonance show two principal features: the scattering on a valence excitation (which at higher excitation energies verges into the characteristic K_α emission), and a remarkably strong energy loss sideband to the elastic scattering peak. The energy loss shoulder appears to result from lattice relaxation in the absorption site. The comparison of the RIXS spectra of phenakite, chrysoberyl and BeO shows that the strength of the low energy sideband differs greatly; it is strongest in BeO and weakest in phenakite. The Si 2p RIXS spectra of phenakite also display a similar strong sub-bandgap energy loss tail.To gain further insight to this process, transitions in a system with a single vibrational mode have been modelled. The phonon relaxation has been simulated empirically by “smearing” the photoabsortion-populated vibrational levels with lower levels. This simple model is able to qualitatively explain this wide energy loss shoulder.     

在醋酸纤维素薄膜中四苯基卟吩的零声子线和局域模

测量了酸醋纤维素(cellulose acetate)薄膜中四苯基卟吩(α,β,γ,δ-tetraphenyporphin,即TPP)的吸收光谱。分析了Gauss型的非均匀加宽的零声子线,用Huang-Rhys-Pekar(H-R-P)Wp(S,)函数得到了H-R-P因子S～1.45.Raman散射实验证实了在TPP中有频率大约为1323cm-1振动模的存在,同时也观测到了频率大约为1440cm-1的吡咯C-H弯曲模、1357cm-1的吡咯=C-N拉伸振动模和频率大约为1155cm-1的单取代苯拉伸振动模。