单壁碳纳米管晶格振动模及红外吸收光谱的研究

碳纳米管晶格动力学的研究可以提供碳纳米管结构和螺旋性等方面的相关信息。在室温下测量了单壁碳纳米管的红外吸收光谱,首次在透射法模式下观察到了其晶格振动模的红外吸收峰,通过与晶格动力学理论计算值对照,做出了振动模的初步归属。讨论了单壁碳纳米管高频振动模与管径的关系,并与高取向热解石墨振动模进行了对比。结果表明,红外吸收光谱包含有碳纳米管的许多信息,是研究其晶格动力学的有效方法。     

Effect of α-irradiation of energy 0.5 MeV on the hydrogen bonding in a-Si:H thin films

Hydrogenated amorphous silicon thin films (a-Si:H) have been prepared by the rf glow discharge technique. The configuration of bonded hydrogen was investigated by infrared absorption measurements of Si:H vibrational modes before and after bombardment with an α-particle beam energy of 125 keV/n. The results showed an increase in the absorption mode near 2100, 890 and 850 cm^?1 and a decrease in the absorption mode near 2000 cm^?1 after bombardment. These observations are interpreted in terms of changes of the oscillator strengths of vibrational modes.     

金属卤化物中的晶格振动

运用紧束缚双带模型对MX化合物晶格振动的计算发现,晶格振动谱由一条声频支和三条光频支组成,进一步得到了出现元激发时,晶格振动色散关系中的分立频率和相应的定域振动模.在MX化合物红外吸收谱的计算中发现对应不同元激发红外谱具有不同的特征. 关键词： 电荷密度波 晶格振动 红外吸收     

The vibrational modes around the soliton lattice with next neighbor hopping interactions in highly doped trans-(CH) x

Starting from the extended SSH model that includes an external Coulomb potential arising from interchain charged solitons and counterions, the intrachain e-e interaction and the next neighbor hopping interactions, eight localized vibrational modes around the soliton lattice have been found for the doping levels from 3.33 at.% to 13.33 at.%. Among them three are infrared active and they can be used to interpret the three observed infrared absorption lines at 487, 1284 and 1362 cm^–1. Furthermore, the frequencies of localized modes are decreased and their localizations are weakened when the dopant concentrations increase.     

混合谐振模式宽带长波红外超表面吸收器研究

为了满足红外探测器件集成化和对红外宽光谱范围吸收的需求,设计了一种工作在长波红外波段(8~14μm)的超宽带、高吸收、极化不敏感的超材料吸收器。通过在金属-介质-金属三层异质的超材料吸收器结构的顶部金属周围镶嵌一层介质形成超表面,以增加谐振强度和吸收带宽。在8~13.6μm的带宽范围内,该结构有超过90%的平均吸收率,覆盖了大部分长波红外大气窗口波段,对红外探测领域有着重要意义。研究结果表明:镶嵌的金属-介质组成的介质波导模式和谐振腔模式的结合以及传播型表面等离激元模式的激发是形成宽带高吸收的主要原因,并且谐振模式的谐振波长可以通过相关参数来进行调控。本文的研究结果为可调谐宽带长波红外吸收材料的设计提供参考,该设计方法可推广到中波红外波段、甚至长波红外或其它波段。     

Universality of the string picture in lattice gauge systems

We test the conjecture that the infrared behaviour of gauge theories is described by an effective string picture by analyzing the Monte Carlo data of five different three- and four-dimensional lattice gauge systems, SU(2) and SU(3) included. We find that there is a unique string of fermionic type which fits well to the whole set of analyzed data.     

有机官能团的太赫兹光谱特征研究

采用傅里叶远红外光谱仪(FTIR),在室温条件下测量了多种饱和直链有机小分子的太赫兹光谱。测试结果显示,有机官能团的差异导致有机物的太赫兹光谱特征显著不同。其中,有机物的晶格振动吸收峰和分子间氢键的振动吸收峰分别位于太赫兹高频和低频波段。而且,饱和直链一元醇的—OH官能团产生的分子间氢键的特征峰位于57 cm-1,而三十烷酸的—COOH官能团产生的分子间氢键的特征峰则位于74 cm-1。分子间氢键使三十烷醇和三十烷酸对太赫兹辐射的吸收能力明显地强于三十烷烃。相比于三十烷醇,三十烷酸的太赫兹特征峰还发生有规律的红移和蓝移现象。此外,还采用密度泛函理论B3LYP/6-311G(d, p)基组对饱和直链烷烃、烷醇和烷酸的太赫兹光谱进行了仿真计算,发现分子间氢键作用越强的有机物的单体分子的仿真结果与实测光谱的吻合程度越低。二聚体结构的仿真结果与实测光谱的吻合程度明显地高于单分子结构。研究结果对利用FTIR研究其他有机官能团的太赫兹光谱特征、探索有机分子内部的振动模式、探究有机物太赫兹响应的物理原理及器件应用等具有重要意义。     

Defect modes in one-dimensional photonic lattices

Linear defect modes in one-dimensional photonic lattices are studied theoretically. For negative (repulsive) defects, various localized defect modes are found. The strongest confinement of the defect modes appears when the lattice intensity at the defect site is nonzero rather than zero. When launched at small angles into such a defect site of the lattice, a Gaussian beam can be trapped and undergo snake oscillations under appropriate conditions.     

RNA碱基的太赫兹光谱和拉曼光谱特征研究

应用傅里叶红外光谱仪和激光拉曼光谱仪测试了RNA碱基在太赫兹波段(1～10 THz)的红外和拉曼光谱,同时结合Guassian09软件和周期性边界条件下基于能量的分块方法(PBC—GEBF),分析了RNA碱基晶体的红外和拉曼光谱特征,得到了所有特征峰位置及其对应的振动模式,且计算光谱与测试光谱一致吻合,表明碱基粉末样品为无定形晶体结构。通过对红外光谱的分析可知,在太赫兹波段,腺嘌呤和鸟嘌呤都有6个红外活性振动模式,胞嘧啶和尿嘧啶分别为6个和3个红外活性振动模式,与实验结果相比,除了鸟嘌呤6.35 THz处的弱吸收峰没能重现,4.83和5.39 THz处的吸收峰简并;胞嘧啶4.3和4.79 THz处吸收峰简并;尿嘧啶3.32和3.82 THz处的吸收峰简并外,其他吸收峰的位置和强度均被准确地模拟重现。通过对拉曼光谱的分析可知,理论和实验光谱基本一致,除了尿嘧啶3.52和4.48 THz处特征峰简并;鸟嘌呤7.26和8.03 THz,3.57,4.02,4.49,4.89和5.98 THz处特征峰简并外,其他特征峰的位置和强度均被准确的模拟重现。通过对特征峰的分析和辨认,可知在1～10 THz,RNA碱基的振动模式均来源于晶格内分子的集体振动,分子间的氢键和弱相互作用力对振动模式的贡献很大,进一步分析可知,在1～5.5 THz,其振动模式来自所有原子参与的集体振动,在5.5～10 THz,振动模式来自于部分原子参与的集体振动。此项研究对揭示RNA碱基在构成生物大分子结构、生物大分子鉴定以及太赫兹波段光谱的形成机制等方面,具有重要的理论和实际参考价值。     

金属/介质薄膜中声子热辐射的空间和各向异性研究

基于理论、实验和仿真相结合的方式,着重研究了金属/介质(MD)薄膜中声子热辐射的空间特性和各向异性。声子是由于晶格振动产生的元激发,是物质的内在属性。尽管声子不易调控,但是声子与其他光学激发的耦合会产生奇异的光学现象。特别是红外到太赫兹范围内的光子与极性介质中的声子强耦合产生表面声子激元（SPhP）。SPhP具有强局域、低损耗等特点,与等离子体（plasmon polaritons）形成互补,使得深亚波长光学成为可能。为了进一步了解声子吸收的内在理论基础,首先通过黄昆方程和超晶格连续介电模型在理论上分析了声子吸收。实验上,主要以SiO₂声子作为研究对象,利用等离子体增强化学气相沉积(PECVD)方法,分别在Si/Al（150 nm）薄膜和Si衬底上制备出500 nm厚的SiO₂薄膜。基于傅里叶红外光谱仪(FTIR),在垂直入射下得到热辐射光谱,通过热辐射光谱分析,并结合由时域有限差分算法（finite-difference time-domain,FDTD）计算得出的仿真光谱图,对比了MD薄膜结构和非MD薄膜结构中声子的热辐射,发现MD薄膜结构更能够有利于声子和SPhP的激发。根据Berreman效应,纵光学波（LO）声子只在倾斜入射时产生。光谱线没有呈现洛伦兹线型,因此,虽然LO声子在垂直入射时测得的热辐射图中不辐射,但同样影响横光学波（TO）声子辐射谱的线型。另外,利用FTIR对金属（Si/Al）/介质（SiO₂薄膜）进行热辐射转角测试,对热辐射转角图分析证明,Si/Al/SiO₂薄膜中SiO₂声子遵循LST(lyddano-sachs-teller)关系,纵横声子成对出现,且两种声子的空间辐射特性不同。改变偏振,发现在S偏振和P偏振下,声子热辐射呈现不同的模式, 体现出声子的空间各向异性。并且,声子与光子耦合可以激发SPhP,反过来,SPhP可以增强声子的吸收。基于MD结构,能够激发并调控SPhP和声子辐射行为,为红外器件的实现奠定了基础。     

Observation of the enhanced infrared absorption of p-nitrobenzoate on Ag island films with an ATR technique

By the use of an ATR technique we have found that the infrared absorption of p-nitrobenzoate, formed on Ag island film about 5 nm thick, is enhanced by a factor of the order of 10. Only vibrational modes involving a change in the dipole moment of the benzoate ion perpendicular to the macroscopic Ag surface are enhanced by p-polarized radiation alone, indicating the electric field of the evanescent wave polarized perpendicular to the Ag surface plays a dominant role in the infrared excitation process. A monolayer of stearic acid deposited on a Ag underlayer 5nm thick gave another example of the enhancement. Although the mechanism of enhancement is not fully elucidated, the existing model based on the collective electron resonances of Ag islands is not applicable to the present case, since it predicts the electron resonance can be excited irrespective of polarization state of infrared beam.     

Thermal spectral functions of strongly coupled N = 4 supersymmetric Yang-Mills theory

We use the gauge-gravity duality conjecture to compute spectral functions of the stress-energy tensor in finite-temperature N = 4 supersymmetric Yang-Mills theory in the limit of large N(c) and large 't Hooft coupling. The spectral functions exhibit peaks characteristic of hydrodynamic modes at small frequency, and oscillations at intermediate frequency. The nonperturbative spectral functions differ qualitatively from those obtained in perturbation theory. The results may prove useful for lattice studies of transport processes in thermal gauge theories.     

PSDF of log-amplitude scintillation for 7 μm band laser beam with absorption by water vapour

The power spectral density function (PSDF) of the log-amplitude scintillation for an infrared laser beam was measured experimentally. To investigate the contribution of the absorption and the dispersion that cause the scintillation, we chose 16 wavelengths of infrared light and one wavelength of visible light. It is found that the spectral density of scintillation for the infrared beam does not agree with that for the visible beam, as predicted by Tatarskii's theory in the low-frequency region below 1 Hz. This disagreement between the experiment and the theory in the low-frequency region should be attributed to water vapour absorption.     

Two-dimensional photonic crystals with pure germanium-on-insulator

We have investigated pure germanium two-dimensional photonic crystals. The photonic crystals which exhibit resonances in the near infrared spectral range were fabricated on germanium-on-insulator substrates using standard silicon-based processing. The germanium-on-insulator substrate consists of a thin layer of pure germanium-on-oxide deposited on a silicon substrate. The optical properties are probed by the direct band gap optical recombination of pure germanium at room temperature. Resonant optical modes are evidenced between 1.68 and 1.53 μm in different type of hexagonal cavities (H1-H5). The spectral position of the modes is controlled by the lattice periodicity and air filling factor of the photonic crystals. Close to the Ge band edge, the quality factors are limited by the bulk material absorption.     

Infrared absorption spectra for B- and P-alloyeda-Si: Effects of annealing

The effects of isochronal annealing on the infrared and far-infrared spectra of very heavily B- and P-dopeda-Si(H) are reported. Upon annealing, the B-H stretching mode evolves into two bands centered at 2475 and 2370cm^–1. The broad band of the heavily B-doped samples between 600 and 900cm_-1 is resolved into three peaks or absorption shoulders located at 830, 725, and 630cm_-1. The 640cm_-1 band of the heavily P-doped samples splits into two peaks centered at 630 and 670cm_-1. The assignment of the above peaks is discussed. The intrinsic infrared absorption due to the Si lattice modes changes only little as a result of the annealing. These changes are a measure of the H-induced ir activity of the Si-Si bands.     

Electron-phonon coupling spectrum in photodoped pentacene crystals

The coupling between conduction charges and the vibrational modes of the molecular lattice plays a defining role in the transport characteristics of organic semiconductors. Using electron tunneling spectroscopy, we obtain the electron--optical-phonon coupling spectrum in photodoped pentacene crystals at energies <30 meV. Comparison of the tunneling spectrum to infrared absorption data on the optical phonon density of states yields the energy dependence of the electron-phonon scattering matrix element. The integrated spectral weight of the electron-phonon coupling shows that superconductivity in pentacene is likely of electron-phonon origin.     

Theory of multiphonon absorption in the wings of internal vibrational modes of impurities in ionic crystals

Green's function methods are applied to obtain the multiphonon absorption coefficient in crystals containing impurities with internal vibrational modes. The results imply that the shape of the wing absorption from such modes is determined by the host lattice density of states, but with a fall-off rate determined by the range of the lattice-impurity interaction potential.     

FIR absorption studies of neodymium sulphate by FTIR at low temperatures

Far infrared (FIR) spectra of neodymium sulphate octahydrate and its deuterated analogue crystals were studied in the 400-50 cm⁻¹ region. Measurements were carried out at ambient and low temperatures. A quasi structure model was used to identify the absorption bands and for the assignment of the spectral information. Bands pertaining to librational modes hindered rotations, and translation modes arising from different molecular groups, ions and bondings were obtained. Low temperature measurements were quite useful for revealing the removal of degeneracy, sharpening of the bands, shifting of the frequency and in the identification of weak bands. Deuteration of the crystals was used to identify the bands pertaining to water molecules present in the lattice and in the coordinated water. The isotopic shift arising from the corresponding bands of H₂O and D₂O was found to be 1.053 at a temperature of 290 K and 1.043 at 60 K.     

钙钛矿结构B位双掺杂LaMg_(0.34)Ni_xFe_(0.66-x)O_3的红外辐射性能

采用溶胶-凝胶法制备了纯的和Mg~(2+)-Ni~(2+)掺杂的LaFeO_3,并对它们在近红外波段的发射率进行了研究和比较。结果表明,34%(摩尔分数)的Mg~(2+)和23%(摩尔分数)的Ni~(2+)掺杂的LaFeO_3即LaMg0.34Ni0.23Fe0.43O_3在0.2~2μm波段的红外发射率达到了0.966,远高于未掺杂LaFeO_3的0.446。Mg~(2+)-Ni~(2+)共掺杂能够显著提高LaFeO_3在近红外波段的发射率的原因在于Mg~(2+)、Ni~(2+)进入铁酸镧的晶格中取代Fe3+,引入了杂质能级,氧空位浓度增加,提高了杂质能级吸收以及氧空位吸收,掺杂引起的晶格畸变使得晶格振动吸收增强;此外,电子在Fe3+和Fe4+之间的极化跃迁,也增强了化合物在相应光谱区域的吸收性能。     

Structural, optical and electrical properties of cubic AlN films deposited by laser molecular beam epitaxy

Cubic AlN films were successfully deposited on TiN buffered Si (100) substrates by a laser molecular beam epitaxy (LMBE) technique, and their crystal structure and optical and electrical properties were studied. The results indicate that cubic AlN films show the NaCl-type structure with a (200) preferred orientation, and the lattice parameter is determined to be 0.4027 nm. The Fourier transform infrared (FTIR) pattern of the cubic AlN film displays sharp absorption peaks at 668 cm⁻¹ and 951 cm⁻¹, corresponding to the transverse and longitudinal optical vibration modes. Ellipsometric measurements evidence a refractive index of 1.66–1.71 and an extinction coefficient of about zero for the cubic AlN film in the visible range. Capacitance–voltage (C–V) traces of the metal–insulator–semiconductor (MIS) device exhibit that the cubic AlN film has a dielectric constant of 8.1, and hysteresis in the C–V traces indicates a significant number of charge traps in the film.