单层，少层和块状WS2薄膜中声子位移随温度的变化

Two-dimensional transition metal disulfides (TMDs) have recently attracted significant research attention due to their rich physical and chemical properties. Graphene has also been studied intensively due to its high electron mobility of ~200000 cm²·V⁻¹·s⁻¹. Since there is no band gap, it is difficult for a graphene-based device to achieve high current on/off ratio. For TMDs, such as MoS₂, MoSe₂, WSe₂, and WS₂, the band gaps of these materials can be adjusted according to the number of layers. Since TMD has the advantage of suppressing source-drain tunneling current in an ultra-short transistor and offering superior immunity to short-channel effects, it is also attractive for use as a channel material in Si complementary metal oxide semiconductor (CMOS) devices larger than 22 nm. Among them, MoS₂ in single-layer and multi-layer films have been intensively researched for many years. MoS₂-based field effect transistors (FETs) with excellent electrical properties have been reported. WS₂ has lower in-plane electronic mass than MoS₂, MoSe₂, and MoTe₂, and therefore has potential for higher carrier mobility or higher output current for WS₂-based FETs. Experimental research on WS₂ is limited compared to MoS₂, and more work is needed to further exploit the full potential of WS₂-based FETs. Therefore, the electron-phonon interaction and vibration properties of WS₂ used in nano-electronic applications and FETs must be investigated. To this end, mono-layer (1L), few-layer (FL), and bulk WS₂ films were prepared using mechanical exfoliation from a WS₂ crystal. 3M scotch-tape was used for transferring the WS₂ films. Detailed temperature-dependent Raman study on 1L, FL, and bulk WS₂ films has been conducted using a 514-nm excitation laser. Raman spectroscopy, as an effective and non-destructive approach for phonon vibration study, has been used to evaluate TMDs. The Raman spectra reveal much useful information on the test sample in terms of peak position and spectral shape change. With the film thickness increasing to bulk, the A_1g(Γ) and E_2g¹(Γ) modes show blue-shift and red-shift, respectively, with respect to 1L WS₂. Moreover, when the dominant Raman vibration modes swaps between E_2g¹(Γ) and A_1g(Γ), the "cross-over" temperature was identified for 1L, FL, and bulk WS₂ films. WS₂ shows smaller frequency change Δ between the E_2g¹(Γ) and A_1g(Γ) modes than MoS₂, with varying film thickness. The temperature coefficient of the Raman peak position was one magnitude lower for WS₂ than MoS₂, implying that WS₂ has better thermal stability than MoS₂. The results of this systematic study provide a physical guidance for WS₂-based device design.     

Deriving Vibration Modes of Semi-infinite Chain Model by ＂Invariant Eigen-operator＂ Method

For the first time, we introduce a fully quantum mechanical Hamiltonian for a semi-infinite chain model of atoms. We then derive the vibration modes of this model by virtue of the ＂invariant eigen-operator＂ method in two different cases, which is concise and revealing.     

触发固体中相变的新方法

触发固体中的相变有各种不同的微妙方法，例如，可用一个光脉冲或电流来注射能够改变一个系统的电子状态的“热”电荷．现在，Rini等人报告了一种很不相同的方法：用太赫兹（THz）辐射来激发一种磁阻性水锰矿中某一振动模式．这一体系具有强关联的电子，在该体系中，即便是晶体结构的微小变化也能对电子性能和磁性能产生深远影响．     

CH3CF2O2+HOO反应的理论研究

使用Gaussian98程序包，在B3LYP/6-311++G**基组水平上对CH3CF2O2+HOO的各反应通道进行了充分研究，过渡态和产物间的联系通过IRC确认．用振动模式分析和电子布居分析对所有反应通道进行了讨论以阐明反应机理．研究结果表明，在能量上CH3CF2CO2+HOO→IM1→TS1→CH3CF2O2H+O2通道最为有利，CH3CF2O2H和O2是主要产物，但CH3OH和CF2O的生成也是可能的．     

一种新型Cymbal换能器的研究

提出并研究了一种新型的Cymbal换能器.与传统的Cymbal换能器相比,该换能器中的压电陶瓷圆盘由一个金属圆环和压电陶瓷圆盘的径向组合体所代替.论文首先探讨了压电陶瓷圆盘和金属圆环组合体的径向振动,用解析方法得出了其径向振动的机电等效电路.在此基础上,得出了新型Cymbal换能器的机电等效电路,并得出了其共振及反共振...