Investigation of carrier scattering mechanisms in TlInS2 single crystals by Hall effect measurements

TlInS₂ single crystals are studied through the conductivity and Hall effect measurements in the temperature regions of 100‐400 and 170‐400 K, respectively. An anomalous behavior of Hall voltage, which changes sign below 315 K, is interpreted through the existence of deep donor impurity levels that behave as acceptor levels when are empty. The hole and electron mobility are limited by the hole‐ and electron‐phonon short range interactions scattering above and below 315 K, respectively. An energy level of 35 meV and a set of donor energy levels located at 360, 280, 220 and 170/152 meV are determined from the temperature dependencies of the carrier concentration and conductivity. A hole, electron, hole‐electron pair effective masses of 0.24 m_o, 0.14 m_o and 0.09 m_o and hole‐ and electron‐phonon coupling constants of 0.50 and 0.64, respectively, are obtained from the Hall effect measurements. The theoretical fit of the Hall coefficient reveals a hole to electron mobility ratio of 0.8. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Study of phonon polaritons in GaAs/GaPAs superlattices using methods of IR reflection spectroscopy

We studied phonon-polariton modes in long-period GaAs/GaPAs semiconductor superlattices using the methods of frustrated total internal reflection and IR spectroscopy in the region of residual rays. The excitation of waveguide, real, and virtual surface and volume phonon polariton modes was observed experimentally. Their dispersion relations were calculated and compared with experimental data, and the excitation nature was identified with the aid of the spectra of permittivity and a normal component of the wave vector in heterostructure layers. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 66, No. 4, pp. 460–466, July–August, 1999.     

Anharmonic Effects on the Thermodynamic Properties of Quartz from First Principles Calculations

The simple chemistry and structure of quartz together with its abundance in nature and its piezoelectric properties make convenient its employment for several applications, from engineering to Earth sciences. For these purposes, the quartz equations of state, thermoelastic and thermodynamic properties have been studied since decades. Alpha quartz is stable up to 2.5 GPa at room temperature where it converts to coesite, and at ambient pressure up to 847 K where it transforms to the beta phase. In particular, the displacive phase transition at 847 K at ambient pressure is driven by intrinsic anharmonicity effects (soft-mode phase transition) and its precise mechanism is difficult to be investigated experimentally. Therefore, we studied these anharmonic effects by means of ab initio calculations in the framework of the statistical thermodynamics approach. We determined the principal thermodynamic quantities accounting for the intrinsic anharmonicity and compared them against experimental data. Our results up to 700 K show a very good agreement with experiments. The same procedures and algorithms illustrated here can also be applied to determine the thermodynamic properties of other crystalline phases possibly affected by intrinsic anharmonic effects, that could partially invalidate the standard quasi-harmonic approach.     

Heat capacity and phonon dispersion in poly(L-methionine)

Poly(L -methionine) (PMet) is one of the two sulfur containing polyamino acids. Raman, FTIR spectra, and heat capacity measurements of PMet have been well interpreted through the normal mode analysis and the density of states derived therefrom. Earlier interpretation of heat capacity data is limited because it is based on the Tarasov model, wherein the concept of group frequency and skeletal similarity are used. A special feature of some dispersion curves is their tendency to bunch in the neighborhood of the helix angle. This has been attributed to the presence of strong intramolecular interactions. Repulsion between the dispersion curves is also observed. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35 : 2281–2292, 1997     

Enhanced Terahertz Phonon Polariton in Lithium Niobate Chip

Terahertz (THz) phonon polaritons, fundamental quasi-particles that couple lattice vibrations with electromagnetic fields at THz frequencies, are found in a variety of materials that offer the potential for a wide range of THz optoelectronic devices and on-chip integrated systems. However, these compact devices and on-chip systems are hampered by the absence of on-chip powerful THz phonon polariton sources. In this study, the efficient generation and amplification of THz phonon polaritons are proposed and directly visualized on a lithium niobate (LN) chip via a tilted pulsefront phase matching technique. By combining lateral pumping and phase matching schemes, two orders of magnitude are successfully attained in the interaction distance between the pump light and the LN chip, accompanied by a substantial amplification of generated THz phonon polariton. The results of this study may lead to abundant potential applications in chip scale THz photonic devices and systems based on LN materials and its integrated heterostructures.     

Improvement of modified analytic embedded atom method potentials for noble metals and Cu

The modified analytic embedded atom model (EAM) potentials considering farther neighbor atoms are improved for the noble metals (Ag, Au, Pt, Pd, Rh) and Cu. We not only adopt an end processing function and an enhanced smooth continuous condition for the pair potential, but also adjust the model parameters of multi-body potential by fitting a cohesive energy, a mono-vacancy formation energy, the Rose equation curve for the cohesive energy as a function of lattice parameter, a structure energy difference, elastic parameters and an equilibrium condition of crystal. The calculation results of structure energy differences misfit the experiment data for the noble metals and Cu in the unimproved EAM, because anyone of these differences have not been considered in the calculation of its model parameters. After the modification, the model showed better simulation results for the noble metals and Cu.     

High Efficiency Four-Wave Mixing with Relaxation Coupling of Longitude-Optical Phonons in Semiconductor Quantum Wells

The time-dependent analysis of four-wave mixing(FWM) has been performed in four-level double semiconductor quantum wells(SQWs) considering the cross-coupling of the longitude-optical phonons(LOP) relaxation. It is shown that both the amplitude and the conversion efficiency of the FWM field enhance greatly with the increasing strength of cross-coupling of LOP relaxation. Interestingly, a double peak value of the conversion efficiency is obtained under a relatively weak single-photon detuning considering the LOP coupling. When the detuning becomes stronger,the double peaks turn into one peak appearing at the line respect to the about equality two control fields. The results can be interpreted by the effect of electromagnetically induced transparency and the indirect transition. Such controlled high efficiency FWM based on the cross-coupling LOP may have potential applications in quantum control and communications.     

类石墨烯二维原子晶体的微态理论模型

基于微态(Micromorphic) 连续介质理论,提出了针对类石墨烯二维原子晶体的新力学模型. 该模型以有限大小的布拉维单胞为基元体,考虑基元粒子的宏观位移和微观变形,依据微态理论基本方程,推导了全局坐标系下模型的主导方程. 然后针对布拉维单胞中含有两个原子的类石墨烯晶体,通过分析单胞中声子振动模式与基元体自由度的关系,获得了微态形式下声子色散关系的久期方程,并根据二维晶体声子色散特性对久期方程进行了简化,进而确定了类石墨烯晶体模型的本构方程. 最后,以石墨烯和单层六方氮化硼为例,利用简化的表达式拟合了它们面内声子色散关系数据,计算了模型材料的常数,石墨烯模型的等效杨氏模量、泊松比分别为1.05 TPa 和0.197,氮化硼分别为0.766 TPa 和0.225,均与已有的实验值相符合.      

Phonon confinement and substitutional disorder in Cd1−xZnxS nanocrystals

1‐longitudinal optical (LO) phonons in free‐standing mixed Cd_1−xZn_xS nanocrystals, synthesized using chemical precipitation, are investigated using Raman spectroscopy. As expected for the nanocrystals, the 1‐LO modes are found to appear at slightly lower wavenumbers than those in the bulk mixed crystals and exhibit one‐mode behavior. On the other hand, the line broadening is found to be much more than that can be accounted on the basis of phonon confinement. From the detailed line‐shape analysis it turns out that the substitutional disorder in the mixed crystals contributes much more to the line broadening than the phonon confinement. The linewidth arising from these mechanisms are also extracted from the analysis. Copyright © 2009 John Wiley & Sons, Ltd.