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lattice vibrations and Raman scattering in two- dimensional layered materials beyond graphene

Nano Research 2016年第12期9卷 3559-3597页

作者： Xin Lu Xin Luo Jun Zhang Su Ying Quek Qihua Xiong Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University Singapore 637371 Singapore Department of Physics National University of Singapore 2 Science Drive 3 Singapore 117551 Singapore Centre for Advanced 2D Materials National University of Singapore 6 Science Drive 2 Singapore 117546 Singapore State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing 100083 China NOVITAS Nanoelectronics Centre of Excellence School of Electrical and Electronic Engineering Nanyang Technological University Singapore 639798 Singapore

We review lattice vibrational modes in atomically thin two-dimensional （2D） layered materials, focusing on 2D materials beyond graphene, such as group VI transition metal dichalcogenides, topological insulator bismuth chalcogenides, and black phosphorus. Although the composition and structure of those materials are remarkably different, they share a common and important feature, i.e., their bulk crystals are stacked via van der Waals interactions between ＂layers＂, while each layer is comprised of one or more atomic planes. First, we review the background of some 2D materials （MX2, M = Mo, W; X = S, Se, Te. Bi2X3, X = Se, Te. Black phosphorus）, including crystalline structures and stacking order. We then review the studies on vibrational modes of layered materials and nanostructures probed by the powerful yet nondestructive Raman spectroscopy technique. Based on studies conducted before 2010, recent investigations using more advanced techniques have pushed the studies of phonon modes in 2D layered materials to the atomically thin regime, down to monolayers. We will classify the recently reported general features into the following categories： phonon confinement effects and electron-phonon coupling, anomalous shifts in high-frequency intralayer vibrational modes and surface effects, reduced dimensionality and lower symmetry, the linear chain model and the substrate effect, stacking orders and interlayer shear modes, polarization dependence, and the resonance effect. Within the seven categories, both intralayer and interlayer vibrational modes will be discussed. The comparison between different materials will be provided as well.

关键词： phonon lattice vibration Raman spectroscopy two-dimensional transition metaldichalcogenide black phosphorus

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Free Electron Characteristic Peculiarities Caused by lattice vibrations in Metals

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World Journal of Condensed Matter Physics 2022年第2期12卷 9-17页

作者： Vilius Palenskis Physics Faculty Vilnius University Vilnius Lithuania

It is shown that the traditional explanation of the free electron properties, such as mean free electron path, drift mobility, and the relaxation time, by lattice vibrations, is not valid for real free randomly moving (RM) electrons in materials with degenerate electron gas. It is shown that the effective density of the free RM electrons in elemental metals is completely determined by density-of-states at the Fermi surface and by absolute temperature. The study has shown that the lattice vibrations excite not only the free RM electrons but also produce the same number of weakly screened ions (so-named electronic defects), which cause the scattering of the free RM electrons and related electron kinetic characteristics.

关键词： Metals Free Randomly Moving (RM) Electron Density Density-of-States (DOS) Probability Density Electronic Defects lattice vibration

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Investigation on Raman spectra and thermal properties of LuVO_4 and Nd:LuVO_4 crystals

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Journal of Rare Earths 2011年第3期29卷 207-212页

作者：徐民于浩海张怀金许心光王继扬 State Key Laboratory of Crystal Materials Shandong University

lattice vibration modes of LuVO4 and Nd：LuVO4 crystals were calculated by using space group theory,and polarized Raman spectra were recorded with four different geometrical scattering configurations at room temperature to test the theoretical prediction and assign the normal vibrations of these *** measured specific heats at 293.15 K were 0.368,0.378 and 0.363 J/（g·K） for LuVO4,2 at.% and 3 at.% Nd：LuVO4,*** thermal diffusivities of Nd：LuVO4 crystals were obtained in the temperature range of 303.15-563.15 *** calculated thermal conductivity was 5.149（4.579） W/（m·K） along the [001]（[100]） direction for 2 at.% Nd：LuVO4 at 303.15 K,and 5.059（4.225） W/（m·K） for 3 at.% Nd：LuVO4.

关键词： lattice vibration Raman spectrum thermal analysis rare earths

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Relationship between structure and microwave dielectric properties of Li_(3)Mg_(4)Nb_(1-x)Ta_(x)O_(8)ceramics

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Journal of Materiomics 2024年第1期10卷 245-252页

作者： Chongsheng Wu Kui Liu Honglan Lai Fang Xu School of Mechanical and Electrical Engineering Chengdu University of TechnologyChengduSichuan610059China School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu610054China State Key Laboratory of Environment-friendly Energy Materials Southwest University of Science and TechnologyMianyang621010China

Herein,the sintering behavior and dielectric properties of Ta5+-doped Li3Mg4NbO8 ceramics were investigated by solid-phase reactions in combination with first-principles *** particular,Li_(3)Mg_(4)Nb_(0.96)Ta_(0.04)O_(8)illustrates the best dielectric properties after sintering at 1,175℃withεr=13.71±0.20,Q×f=(132,112±2,391)GHz(increased by 25%)andτf=(25.07±1.36)×10^(−6)℃^(−1).The non-intrinsic factors reflect that a small amount of Ta^(5+)doping produces a secondary phase,increased densification,and grain size,all of which optimize the dielectric *** dominant intrinsic factors indicate that the increase in bond ionicity,the greater polarization of Ta^(5+),and the blueshift of the Raman characteristic peak all lead to an increase inε*** increase in lattice energy and the decrease in the damping behavior of the Nb/Ta-O bond vibrations lead to an increase in Q×*** weakening of the Nb/TaO_(6) octahedral distortion leads to an optimization ofτ*** modified Li_(3)Mg_(4)Nb_(0.96)Ta_(0.04)O_(8) ceramics have promising applications in microwave communications.

关键词： First-principles Li_(3)Mg_(4)NbO_(8),dielectric properties lattice vibration

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Strain coefficient measurement for the (100) uniaxial strain silicon by Raman spectroscopy

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Science China(Information Sciences) 2011年第8期54卷 1762-1768页

作者： DUAN BaoXing & YANG YinTang Key Laboratory of the Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices,School of Microelectronics,Xidian University,Xi’an 710071,China 1. Key Laboratory of the Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices School of Microelectronics Xidian University Xi’an 710071 China

The lattice vibration model is established to express the crystalline silicon strain,based on which the strain coefficient b of -336.6 cm -1 is obtained for the uniaxial strain silicon with (100) crystalline *** Raman spectroscopy to measure single-axis crystalline silicon,the relationship between the screw rotation amount and the strain is advanced. By using a laser with a 648 nm wavelength,the Raman spectra frequency shift of 0.47 cm -1 is measured when the screw rotation amount is 1.5 *** strain coefficient b of -335.7 cm -1,obtained for the (100) uniaxial strain silicon,agrees with the result of the lattice vibration model.

关键词： Raman spectroscopy strain silicon lattice vibration

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An atomistic simulation of site preference and vibrational properties of UMxAl12-x (M = Fe, Co, Ni, Cr and Mn) and UMxAl12-xHx

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Progress in Natural Science:Materials International 2009年第8期19卷 983-989页

作者： Huijun Tian a,b, Ping Qian a, Jiang Shen a, Nanxian Chen a,c a Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083, China b School of Physics, Beijing University of Chemical Technology, Beijing 100029, China c Department of Physics, Tsinghua University, Beijing 100084, China [a]Institute of Applied Physics Beijing University of Science and Technology Beijing 100083 China [b]School of Physics Beijing University of Chemical Technology Beijing 100029 China [c]Department of Physics Tsinghua University Beijing 100084 China

A series of lattice inversion pair potentials are used to evaluate the phase stability and site preference for uranium intermetallics UMxAl12 x (M = Fe, Co, Ni, Cr and Mn) and their related hydrides. Calculated results show that Fe, Co, Ni, Cr or Mn atoms preferentially substitute Al at the 8f site. Interstitial H atoms only occupy 2b interstitial sites in UMxAl12 x. Calculated lattice constants are found to agree with a report in the literature. Elastic constants and bulk modulus of UMxAl12 x and UMxAl12 xH were also investigated. In particular, the phonon densities of states (DOS) of these actinide compounds were evaluated for the first time.

关键词： Interatomic potentials Site preference lattice vibration

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