Electron-phonon interaction at the Be(0001) surface

We present a first principle study of the electron-phonon (e-p) interaction at the Be(0001) surface. The real and imaginary parts of the e-p self-energy (Sigma) are calculated for the Gamma; surface state in the binding energy range from the Gamma; point to the Fermi level. Our calculation shows an overall good agreement with several photoemission data measured at high and low temperatures. Additionally, we show that the energy derivative of Re Sigma presents a strong temperature and energy variation close to E(F), making it difficult to measure its value just at E(F).     

Magnetic field studies of the frictional drag between coupled two-dimensional electronic systems – Coulomb versus phonon coupling

The coupling between systems of two spatially separated two-dimensional (2D) electron gases and between systems of a separated 2D electron gas and a 2D hole gas is studied as a function of magnetic field . The small barrier (30 nm) separated coupled electron gases showed a transition from a phonon dominated interaction at to a Coulomb dominated one at quantising fields. For large barriers (190 nm) phonons have been found to be the dominant coupling mechanism both at zero and finite fields. However, for all barriers investigated we could observe novel screening effects manifested in a suppression of the coupling at half-filled Landau levels. For the coupled electron–hole gases we have investigated samples with large barriers ( ) so that the coupling is both in zero and finite fields dominated by phonon mediated processes. The enhanced screening effects could not be observed in those samples possibly due to the less pronounced quantisation of the hole gas.     

磷化物三元混晶中电子-声子相互作用的维度和体积效应

考虑电子-声子耦合强度因维度而异,导出了描述三维、二维和一维混晶中电子-声子相互作用的哈密顿量。考虑构成三元混晶的两种二元晶体的晶格失配会使混晶体积随元素组分比改变,在推导三维、二维和一维三元混晶中极化子自陷能量和重整化有效质量时计入了离子相对位移与二元晶体原胞体积的关系。结果表明:磷化物三元混晶中极化子自陷能量和重整化有效质量随元素组分的变化关系呈明显的非线性特征,对晶格适配明显、电子-声子耦合较强的材料,体积效应不可忽略。维度越低,非线性特征和体积效应越明显。     

Helium-4 Bose fluids formed in one-dimensional 18 A diameter pores

Bose fluids restricted in one dimension (1D) are realized by adsorbing 4He atoms on the 1D pore walls with a diameter of about 18 A. The Bose fluid appears above an adsorbed amount after the pore walls are coated with the inert 4He atoms. Heat capacity of the fluid was observed to have a temperature-linear term at low temperatures. This corresponds to the phonon heat capacity of the Bose fluid in the 1D pores. We estimate the phonon velocity and the interaction of the 1D Bose fluid.     

二维声学极化子的基态能量和有效质量

自陷电子对了解光电材料的光学性质非常重要.近些年来,形变晶格中电子自陷的问题受到研究人员的广泛关注.电子既与声学模耦合,也与光学模相互作用,但电子由自由态向自陷态的转变缘于近程的电子-声学声子耦合.研究表明:声学极化子在大多数半导体以及Ⅲ-Ⅴ族化合物,甚至碱卤化物中都不可能自陷.另一方面,电子-声子耦合在束缚结构,如二维、一维系统中,会有所增强.换言之,电子在低维结构中更容易自陷.Farias等人指出:声学极化子在二维系统中自陷的临界电子-声子耦合常数为定值,不随声子截止波矢的变化而改变.这种结论在物理上不尽合理.通过计算二维系统中的声学极化子基态能量和有效质量,讨论了二维声学极化子自陷问题.研究发现,二维声学极化子自陷转变的临界耦合常数随声子截止波矢的增加朝电子-声子耦合较弱的方向变化.这一特征与前人关于体和表面极化子研究获得的结论定性一致.所得二维声学极化子基态能量的表达式与Farias等人一致,但自陷的结果与Farias等人的结果在定性和定量上均有不同,我们认为Farias等人关于二维声学极化子自陷转变点的确定方式有不妥之处.通过改进自陷转变点的确定方式,得到了在物理上更合理的结果.     

N型4H-SiC低温拉曼光谱特性

利用拉曼散射技术对N型4H-SiC单晶材料进行了30～300 K温度范围的光谱测量。实验结果表明,随着温度的升高,N型4H-SiC单晶材料的拉曼峰峰位向低波数方向移动,峰宽逐渐增宽。分析认为,晶格振动随着温度的升高而随之加剧,其振动恢复力会逐渐减小,使振动频率降低;原子相对运动会随温度的升高而加剧,使得原子之间及晶胞之间的相互作用减弱,致使声学模和光学模皆出现红移现象。随着温度的升高,峰宽逐渐增宽。这是由于随着温度的升高声子数逐渐增加,增加的声子进一步增加了散射概率,从而降低了声子的平均寿命,而声子的平均寿命与峰宽成反比,因此随着温度的升高峰宽逐渐增宽。声子模强度随温度升高呈现不同规律,E₂(LA),E₂(TA),E₁(TA)和A₁(LA)声子模随着温度升高强度单调增加,而E₂(TO),E₁(TO)和A₁(LO)声子模强度出现了先增后减的明显变化,在138 K强度出现极大值。分析认为造成原因是由于当温度高于138 K时,高能量的声子分裂成多个具有更低能量的声子所致。     

First-principles analysis of phonon thermal transport properties of two-dimensional WS_2/WSe_2 heterostructures

The van der Waals(vdW)heterostructures of bilayer transition metal dichalcogenide obtained by vertically stacking have drawn increasing attention for their enormous potential applications in semiconductors and insulators.Here,by using the first-principles calculations and the phonon Boltzmann transport equation(BTE),we studied the phonon transport properties of WS2/WSe2 bilayer heterostructures(WS2/WSe2-BHs).The lattice thermal conductivity of the ideal WS2/WSe2-BHs crystals at room temperature(RT)was 62.98 W/mK,which was clearly lower than the average lattice thermal conductivity of WS2 and WSe2 single layers.Another interesting finding is that the optical branches below 4.73 THz and acoustic branches have powerful coupling,mainly dominating the lattice thermal conductivity.Further,we also noticed that the phonon mean free path(MFP)of the WS2/WSe2-BHs(233 nm)was remarkably attenuated by the free-standing monolayer WS2(526 nm)and WSe2(1720 nm),leading to a small significant size effect of the WS2/WSe2-BHs.Our results systematically demonstrate the low optical and acoustic phonon modes-dominated phonon thermal transport in heterostructures and give a few important guidelines for the synthesis of van der Waals heterostructures with excellent phonon transport properties.     

Energy loss rate of two-dimensional electron gas in GaInAs/AlInAs, InSb/AlInSb and GaSb/AlGaAsSb heterostructures

Energy loss rates of two-dimensional electron gas in GaInAs/AlInAs, InSb/AlInSb and GaSb/AlGaAsSb heterostructures are theoretically investigated over a wide range of temperature based on the electron–one-phonon and electron–two-phonon interactions. Calculations are presented for electron acoustic one-phonon interaction via deformation potential and piezoelectric coupling and electron–LO phonon interaction with hot phonon effect. In addition, energy loss rate due to electron-two-zone edge transverse acoustic (TA) phonons is also presented. A very good agreement is obtained between the calculations and experimental data in GaInAs/AlInAs structure with the inclusion of electron–two-zone edge TA phonon interaction. In all these three structures energy loss is dominated by (i) acoustic one-phonon scattering at low temperatures, (ii) two-TA zone edge phonons at intermediate temperatures and (iii) LO phonons at high temperatures. It is observed that, hot phonon effect reduces the energy loss rate considerably in these structures.     

Dissipative interaction and anomalous surface absorption of bulk phonons at a two-dimensional defect in a solid

We predict an extreme sensitivity to the dissipative losses of the resonant interaction of bulk phonons with a 2D defect in a solid. We show that the total resonant reflection of the transverse phonon at the 2D defect, described earlier without an account for dissipation, occurs only in the limit of extremely weak dissipation and is changed into almost total transmission by relatively weak bulk absorption. Anomalous surface absorption of the transverse phonon, when one half of the incident acoustic energy is absorbed at the 2D defect, is predicted for the case of “intermediate” bulk dissipation.     

Temperature and layer number dependence of the G and 2D phonon energy and damping in graphene

We have studied the temperature and size dependence of the G and 2D phonon modes in graphene. It is shown that in a graphene monolayer the phonon energy decreases whereas the phonon damping increases with increasing temperature. The electron-phonon interaction leads to hardening whereas the fourth-order anharmonic phonon-phonon processes lead to softening of the phonon energy with increasing temperature. We have shown that the electron-phonon interaction plays an important role also by the dispersion dependence of the phonon G mode, by the observation of the Kohn anomaly. The G mode frequency decreases and damping increases, whereas the 2D phonon frequency and damping increase with increasing layer number. The temperature and size effects of the 2D mode are much stronger than those of the G mode.     

Power-law temperature dependence of thermally excited transport in one-dimensional systems from Monte Carlo simulation

We investigate the temperature dependence of electric conductance in one-dimensional (1D) systems with thermally excited electron transport under various bias voltages by using Monte Carlo simulation based on the variable-rang hopping (VRH) formula. We find that the temperature dependence of the transport can show a power law behavior as a result of summation over a large number of electron traveling paths although the hopping intensity in every step in the VRH formula is exponentially dependent on the temperature. This can well explain the temperature dependence of conductance measured in various experiments on 1D systems. Without taking the interaction between electrons into account, we can also merge most of our data onto one “universal curve” suggested from the Luttinger Liquid theory. This indicates that the phonon assisted hoppings in disordered 1D systems play an important role at finite temperatures and can provide a simple and efficient explanation for the experimentally observed behavior.     

Vacancy effects on one-dimensional migration of interstitial clusters in iron under electron irradiation at low temperatures

We performed in situ observation of one-dimensional (1D) migration of self-interstitial atom (SIA) clusters in iron under electron irradiation at 110–300 K using high-voltage electron microscopy. Most 1D migration was stepwise positional changes of SIA clusters at irregular time intervals at all temperatures. The frequency of 1D migration did not depend on the irradiation temperature. It was directly proportional to the damage rate, suggesting that 1D migration was induced by electron irradiation. In contrast, the 1D migration distance depended on the temperature: distribution of the distance ranged over 100 nm above 250 K, decreased steeply between 250 and 150 K and was less than 20 nm below 150 K. The distance was independent of the damage rate at all temperatures. Next, we examined fluctuation in the interaction energy between an SIA cluster and vacancies of random distribution at concentrations 10^?4–10^?2, using molecular statics simulations. The fluctuation was found to trap SIA clusters of 4 nm diameter at vacancy concentrations higher than 10^?3. We proposed that 1D migration was interrupted by impurity atoms at temperatures higher than 250 K, and by vacancies accumulated at high concentration under electron irradiation at low temperatures where vacancies are not thermally mobile.     

Electron-phonon coupling and longitudinal sound velocity of La0.5Ca0.5MnO3

In this paper, the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters, namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (T_N) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Sound velocity in La0.5Ca0.5MnO3

In this Letter the microscopic theory of the relative change in velocity of sound with temperature of La_0.5Ca_0.5MnO₃ is reported. The phonon Green function is calculated using the Green function technique of Zubarev in the limit of zero wave vector and low temperature. The lattice model electronic Hamiltonian in the presence of the phonon interaction with hybridization between the conduction electrons and the l-electrons is used. The relative change in velocity of sound at various temperatures is studied for different model parameters namely the position of the l-level, the effective phonon coupling strength and hybridization strength. The phonon anomalies observed experimentally at different temperatures are explained theoretically. An abrupt change in velocity at Neel temperature (TN) is observed clearly. It is observed that different parameters influence the velocity of sound.     

Exchange interaction effects on the optical properties of LuMnO3

We have measured the optical conductivity of single crystal LuMnO3 from 10 to 45000 cm(-1) at temperatures between 4 and 300 K. A symmetry allowed on-site Mn d-d transition near 1.7 eV is observed to blueshift ( approximately 0.1 eV) in the antiferromagnetic state due to Mn-Mn superexchange interactions. Similar anomalies are observed in the temperature dependence of the TO phonon frequencies which arise from spin-phonon interaction. We find that the known anomaly in the temperature dependence of the quasistatic dielectric constant epsilon(0) below T(N) approximately 90 K is overwhelmingly dominated by the phonon contributions.     

Anomalous microfluidic phonons induced by the interplay of hydrodynamic screening and incompressibility

We investigate the acoustic normal modes ("phonons") of a 1D microfluidic droplet crystal at the crossover between 2D flow and confined 1D plug flow. The unusual phonon spectra of the crystal, which arise from long-range hydrodynamic interactions, change anomalously under confinement. The boundaries induce weakening and screening of the interactions, but when approaching the 1D limit we measure a marked increase in the crystal sound velocity, a sign of interaction strengthening. This nonmonotonous behavior of the phonon spectra is explained theoretically by the interplay of screening and plug flow.     

Frictional magnetodrag between spatially separated two-dimensional electron systems: Coulomb versus phonon mediated electron-electron interaction

We study the frictional drag due to Coulomb and phonon mediated electron-electron interaction in a double layer electron system exposed to a perpendicular magnetic field. We calculate the transresistivity as a function of magnetic field, temperature, and inter-layer spacing Λ. We find the strikingly different magnetic field and temperature dependence of the transresistivity for Λ=30 and 200 nm and ascribe this to the weak screening effect at large inter-layer separations.     

Dimensional crossover of thermal conductance in graphene nanoribbons: a first-principles approach

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly demonstrated with increasing ribbon width. The thermal conductance of GNRs of a few nanometers width already exhibits an approximate low-temperature dependence of T(1.5), like that of 2D graphene sheets which is attributed to the quadratic nature of the dispersion relation for the out-of-plane acoustic phonon modes. Using a zone-folding method, we heuristically derive the dimensional crossover of thermal conductance with the increase of ribbon width. Combining our calculations with the experimental phonon mean-free path, some typical values of thermal conductivity at room temperature are estimated for GNRs and for 2D graphene sheet. Our findings clarify the issue of the low-temperature dependence of thermal transport in GNRs and suggest a calibration range of thermal conductivity for experimental measurements in graphene-based materials.     

Ab initio investigation of photoinduced non-thermal phase transition in β-cristobalite

Using the linear-response method, we investigate the phonon properties of β-cristobalite crystal under electronic excitation effect. We find that the transverse-acoustic phonon frequency becomes imaginary as the electron temperature is increased, which means that the lattice of β-cristobalite becomes unstable under intense laser irradiation. In addition, for the optic phonon mode, the LO(H)–TO(H) splitting disappears when the electronic temperature reaches a certain value,corresponding to the whole transverse-acoustic phonon branches becoming negative. It means that the electronic excitation destroys the macroscopic electric field of β-cristobalite. Based on the calculated phonon band structures, some thermodynamic properties are calculated as a function of temperature at different electronic temperatures. These investigations provide evidence that non-thermal melting takes place during a femtosecond pulse laser interaction with β-cristobalite.     

Experimental assessment of the phonon confinement in TiO2 anatase nanocrystallites by Raman spectroscopy

TiO₂ aerogels prepared by sol‐gel method and followed by supercritical drying have been annealed at temperatures ranging between 400 and 550 °C. The obtained TiO₂ anatase crystallites with the mean size between 6.4 and 13.9 nm, as obtained from transmission electron microscopy measurements, have been further investigated by Raman spectroscopy. It was found that the peak position and full width at half maximum (FWHM) of the TiO₂ anatase Raman bands located around 144, 398, and 638 cm⁻¹ are influenced by crystallite dimension. These spectral changes can be assigned to the combined action of several nanosize effects such as phonon confinement, phonon coupling, strain, and stoichiometry defects. Surprisingly, the best discrimination of the FWHM change with the nanocrystallite mean size was achieved for the 638 cm⁻¹ band, whereas the best discrimination for the peak position was found for the 398 cm⁻¹ band. The critical size values obtained from the peak position and FWHM evaluation were between 12.7 and 13.1 nm. Taking into consideration that only the phonon confinement and inhomogeneous strain can induce an asymmetric broadening of the Raman signal, the bands asymmetry was evaluated, and the critical size values of the nanocrystallites were determined to be between 10 and 11 nm. For a symmetric size distribution of TiO₂ anatase crystallites with dimensions between 6.4 and 13.9 nm, the obtained result indicates that the phonon confinement contribution to the overall size effects is more than 75%. No evidence about the influence of the phonon coupling and vacancies on the Raman features was observed. The comparison of the data derived from the experimental analysis with those obtained by applying the theoretical phonon confinement model indicates the necessity of developing an improved phonon confinement model. The asymmetry approach can be applied for a great variety of nanostructures, as a measure of the confinement effect. Copyright © 2011 John Wiley & Sons, Ltd.