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Theoretical Study of Thermoelectric Properties of a Single Molecule of Diphenyl-Ether 单分子二苯醚热电性质的理论研究
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-06-27 DOI: 10.3390/condmat8030055
Rafael G. Toscano-Negrette, José C. León-González, J. A. Vinasco, Judith Helena Ojeda Silva, Á. Morales, C. Duque
Taking into consideration the research that has been conducted on the optical and electrical properties of molecular systems, especially the good thermoelectric energy conversion at a nanometric scale that such systems have presented, here we present a new alternative by using a particular diphenyl-ether molecule as a functional device. Such a molecular system is modeled as a planar segment coupled to two electrodes in the first-neighbor approximation within a tight-binding Hamiltonian. We study the electrical and thermal properties of diphenyl-ether molecules such as the electric current, electrical and thermal conductance, Seebeck coefficient, and figure of merit, in the strong and weak coupling regimes, considering different structural configurations and variations with temperature. Our results could be valuable for laboratory applications and/or verification since we characterize the diphenyl-ether molecule as a semiconductor device for different structural models.
考虑到对分子系统的光学和电学性质进行的研究,特别是这些系统在纳米尺度上表现出的良好的热电能转换,我们提出了一种新的替代方案,即使用特定的二苯醚分子作为功能器件。这样的分子系统被建模为在紧束缚哈密顿量内的第一邻居近似中耦合到两个电极的平面段。考虑到不同的结构配置和随温度的变化,我们研究了二苯醚分子在强耦合和弱耦合状态下的电学和热学性质,如电流、电导率和热导率、塞贝克系数和品质因数。我们的结果可能对实验室应用和/或验证有价值,因为我们将二苯醚分子表征为不同结构模型的半导体器件。
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引用次数: 0
Dispersion in Single-Wall Carbon Nanotube Film: An Application of Bogoliubov–Valatin Transformation for Hamiltonian Diagonalization 单壁碳纳米管膜中的色散:Bogoliubov–Valatin变换在哈密顿对角化中的应用
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-06-16 DOI: 10.3390/condmat8020053
C. Adhikari, Da’Shawn M. Morris, T. W. Noonan, T. Neupane, B. Lamichhane, B. Gautam
We present a theoretical study on the energy dispersion of an ultrathin film of periodically-aligned single-walled carbon nanotubes (SWCNTs) with the help of the Bogoliubov–Valatin transformation. The Hamiltonian of the film was derived using the many-particle green function technique in the Matsubara frequency formalism. The periodic array of SWCNTs was embedded in a dielectric with comparatively higher permittivity than the substrate and the superstrate such that the SWCNT film became independent with the axis of quantization but keeps the thickness as the variable parameter, making the film neither two-dimensional nor three-dimensional, but transdimensional. It was revealed that the energy dispersion of the SWCNT film is thickness dependent.
我们在Bogoliubov-Valatin转变的帮助下,对周期性排列的单壁碳纳米管(SWCNTs)超薄膜的能量色散进行了理论研究。利用Matsubara频率形式中的多粒子格林函数技术推导了薄膜的哈密顿量。将SWCNTs周期阵列嵌入比衬底和上基材介电常数更高的介质中,使SWCNTs薄膜以量化轴独立,但厚度作为可变参数,使薄膜既非二维也非三维,而是跨维的。结果表明,纳米碳纳米管薄膜的能量分散与厚度有关。
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引用次数: 0
Influence of a Non-Resonant Intense Laser and Structural Defect on the Electronic and Optical Properties of a GaAs Quantum Ring under Inversely Quadratic Potential 非共振强激光和结构缺陷对逆二次势下砷化镓量子环电子光学性质的影响
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-06-15 DOI: 10.3390/condmat8020052
José C. León-González, Rafael G. Toscano-Negrette, J. A. Vinasco, Á. Morales, M. Mora-Ramos, C. Duque
We investigated the impact of a non-resonant intense laser, structural defects, and magnetic fields on the electronic and optical properties of a simple GaAs quantum ring under the inverse quadratic Hellmann potential, using the effective mass and parabolic band approximations. We obtained the energies and wavefunctions by solving the 2D Schrodinger’s equation using the finite-element numerical technique to analyze this. We considered circular polarization to calculate the dipole matrix elements, which were influenced by the laser field and structural defects in the system. This enabled us to study the linear absorption coefficients. Our results demonstrated that the presence of a laser field and a structural defect disrupt the axial symmetry of the problem. When only the non-resonant laser was present, a pattern of excited states appeared in pairs, which oscillated with the magnetic field. However, the amplitude of the oscillation decreased as the magnetic field strength increased, and these oscillations disappeared when the structural defect was introduced. It was also noted that the intensity and position of the linear optical absorption peaks exhibited a non-monotonic behavior with the magnetic field in the absence of a structural defect. However, this behavior changed when the structural defect was present, depending on the type of polarization (right or left circular). Finally, a clear improvement in the absorption peaks with an increase in the laser parameter is reported.
我们使用有效质量和抛物线带近似,研究了在反二次Hellmann势下,非共振强激光、结构缺陷和磁场对简单GaAs量子环的电子和光学性质的影响。我们利用有限元数值技术求解二维薛定谔方程,得到了能量和波函数。我们考虑了圆偏振来计算偶极矩阵元,它们受到激光场和系统中结构缺陷的影响。这使我们能够研究线性吸收系数。我们的结果表明,激光场和结构缺陷的存在破坏了问题的轴对称性。当只有非共振激光存在时,激发态成对出现,随磁场振荡。然而,振荡的振幅随着磁场强度的增加而减小,并且当引入结构缺陷时,这些振荡消失。还注意到,在没有结构缺陷的情况下,线性光学吸收峰的强度和位置表现出随磁场的非单调行为。然而,当存在结构缺陷时,这种行为发生了变化,这取决于极化的类型(右侧或左侧圆形)。最后,报道了随着激光参数的增加,吸收峰的明显改善。
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引用次数: 0
Interactions and Dynamics of One-Dimensional Droplets, Bubbles and Kinks 一维液滴、气泡和扭结的相互作用和动力学
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-06-12 DOI: 10.3390/condmat8030067
Garyfallia C. Katsimiga, S. I. Mistakidis, B. Malomed, D. Frantzeskakis, R. Carretero-González, P. Kevrekidis
We explore the dynamics and interactions of multiple bright droplets and bubbles, as well as the interactions of kinks with droplets and with antikinks, in the extended one-dimensional Gross–Pitaevskii model including the Lee–Huang–Yang correction. Existence regions are identified for the one-dimensional droplets and bubbles in terms of their chemical potential, verifying the stability of the droplets and exposing the instability of the bubbles. The limiting case of the droplet family is a stable kink. The interactions between droplets demonstrate in-phase (out-of-phase) attraction (repulsion), with the so-called Manton’s method explicating the observed dynamical response, and mixed behavior for intermediate values of the phase shift. Droplets bearing different chemical potentials experience mass-exchange phenomena. Individual bubbles exhibit core expansion and mutual attraction prior to their destabilization. Droplets interacting with kinks are absorbed by them, a process accompanied by the emission of dispersive shock waves and gray solitons. Kink–antikink interactions are repulsive, generating counter-propagating shock waves. Our findings reveal dynamical features of droplets and kinks that can be detected in current experiments.
在包含Lee-Huang-Yang修正的一维广义Gross-Pitaevskii模型中,我们研究了多个亮液滴和亮气泡的动力学和相互作用,以及扭结与液滴和反扭结的相互作用。根据其化学势确定了一维液滴和气泡的存在区域,验证了液滴的稳定性,暴露了气泡的不稳定性。液滴族的极限情况是稳定的扭结。液滴之间的相互作用表现出相内(相外)吸引(斥力),用所谓的曼顿方法解释观察到的动力学响应,以及相移中间值的混合行为。具有不同化学势的液滴经历了质量交换现象。单个气泡在失稳之前表现出核心膨胀和相互吸引。与扭结相互作用的液滴被扭结吸收,这一过程伴随着色散冲击波和灰孤子的发射。扭结-反扭结相互作用是排斥性的,产生反向传播的冲击波。我们的发现揭示了当前实验中可以检测到的液滴和扭结的动力学特征。
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引用次数: 2
Tunable Photonic Band Gaps in Two-Dimensional Bravais–Moiré Photonic Crystal Composed of High-Tc Superconductors 由高温超导体组成的二维bravais - moir<s:1>光子晶体的可调谐光子带隙
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-06-02 DOI: 10.3390/condmat8020051
H. A. Gómez-Urrea, J. G. Cardona, M. Mora-Ramos, C. Duque
In this study, we perform a theoretical study of light propagation properties in two-dimensional square photonic crystals (PCs) following Bravais–Moiré (BM) patterns composed of copper oxide high-temperature superconductors (HTSCs). The BM PCs are made of cylindrical cores formed from the combination of two square Bravais lattices. The Moiré pattern forms due to a commensurable rotation of one of these lattices with respect to the other. The dielectric function of the superconducting material is modeled by the two-fluid Gorter–Casimir theory. We report on the corresponding gap, the mapping as a function of the radius of dielectric cores, as well as the dispersion relations of TM modes for BM PCs and for the waveguide system built of defect lines within such a crystal. The BM PCs were composed of copper oxide HTSCs, which exhibit large tunability in terms of temperature.
在这项研究中,我们对由氧化铜高温超导体(HTSCs)组成的二维方形光子晶体(PCs)中遵循bravais - moir (BM)模式的光传播特性进行了理论研究。BM pc由两个方形Bravais晶格组合而成的圆柱形核心组成。莫尔条纹的形成是由于其中一个晶格相对于另一个晶格的可通约旋转。采用双流体Gorter-Casimir理论对超导材料的介电函数进行了建模。我们报告了相应的间隙,作为介电芯半径的函数的映射,以及BM pc和在这种晶体中由缺陷线构建的波导系统的TM模式的色散关系。BM pc由氧化铜HTSCs组成,在温度方面表现出很大的可调性。
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引用次数: 0
Narrowband Filters Designed from Hybrid One-Dimensional Periodic/Quasiperiodic Photonic Crystals with a Single Defect Layer 基于单缺陷层的一维周期/准周期混合光子晶体设计窄带滤波器
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-05-29 DOI: 10.3390/condmat8020050
Waira Murillo-García, H. A. Gómez-Urrea, M. Mora-Ramos, C. Duque
We report the transmission spectra and electric field amplitudes of electromagnetic modes propagating in hybrid periodic/quasiperiodic multilayer photonic structures in one dimension (1D). We consider the case of the combination of biperiodic Bragg mirror and triperiodic Bragg mirrors with quasiregular (FB, Fibonacci) layered components. The corresponding hybrid structure (HB) is formed by concatenating BM(N)-FB(M)-BM(N), where N (M) means the number of periods (sequence order) used for the Bragg mirrors (FB) structure. A single defect layer (D) is considered in the middle of two HBs (HB-D-HB). Optimizing the parameters (the order of sequence, number of Bragg mirror layers, thickness, and the refractive index of D) allows us to obtain narrowband filters. The manipulation of these parameters fixes the number of photonic band gaps as well as the position of transmission peaks. The existence of the selectively localized behavior of some optical modes in the structures is discussed.
我们报道了在一维(1D)混合周期/准周期多层光子结构中传播的电磁模式的透射光谱和电场振幅。我们考虑具有准正则(FB,Fibonacci)分层分量的双周期布拉格镜和三周期布拉格镜的组合情况。通过级联BM(N)-FB(M)-BM(N)来形成相应的混合结构(HB),其中N(M)表示用于布拉格反射镜(FB)结构的周期数(序列顺序)。单个缺陷层(D)被认为位于两个HBs(HB-D-HB)的中间。优化参数(序列的顺序、布拉格反射镜层的数量、厚度和D的折射率)使我们能够获得窄带滤波器。这些参数的操作固定了光子带隙的数量以及透射峰的位置。讨论了结构中某些光学模式的选择性局域化行为的存在性。
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引用次数: 1
Atomic Structure of Mn-Doped CoFe2O4 Nanoparticles for Metal–Air Battery Applications 锰掺杂CoFe2O4纳米粒子的原子结构及其在金属空气电池中的应用
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-05-24 DOI: 10.3390/condmat8020049
K. Pussi, Keying Ding, B. Barbiellini, K. Ohara, Hiroki Yamada, Chuka Onuh, J. McBride, A. Bansil, R. Chiang, S. Kamali
We discuss the atomic structure of cobalt ferrite nanoparticles doped with Mn via an analysis based on combining atomic pair distribution functions with high energy X-ray diffraction and high-resolution transmission electron microscopy measurements. Cobalt ferrite nanoparticles are promising materials for metal–air battery applications. Cobalt ferrites, however, generally show poor electronic conductivity at ambient temperatures, which limits their bifunctional catalytic performance in oxygen electrocatalysis. Our study reveals how the introduction of Mn ions promotes the conductivity of the cobalt ferrite electrode.
通过原子对分布函数、高能x射线衍射和高分辨率透射电镜测量相结合的分析,讨论了掺杂锰的钴铁氧体纳米粒子的原子结构。钴铁氧体纳米颗粒是一种很有前途的金属空气电池材料。然而,钴铁氧体在环境温度下通常表现出较差的电子导电性,这限制了它们在氧电催化中的双功能催化性能。我们的研究揭示了锰离子的引入如何促进钴铁氧体电极的导电性。
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引用次数: 0
A Positron Implantation Profile Estimation Approach for the PALS Study of Battery Materials 用于电池材料PALS研究的正电子注入轮廓估计方法
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-05-22 DOI: 10.3390/condmat8020048
Xin Li, B. Barbiellini, V. Di Noto, Gioele Pagot, Meiying Zheng, R. Ferragut
Positron annihilation spectroscopy is a powerful probe to investigate the interfaces in materials relevant for energy storage such as Li-ion batteries. The key to the interpretation of the results is the positron implantation profile, which is a spatial function related to the characteristics of the materials forming the battery. We provide models for the positron implantation profile in a cathode of a Li-ion battery coin cell. These models are the basis for a reliable visualization of multilayer geometries and their interfaces in thin cathodes of lithium-ion batteries.
正电子湮灭光谱是研究锂离子电池等储能材料界面的有力探针。解释结果的关键是正电子注入轮廓,这是一个与形成电池的材料特性有关的空间函数。我们提供了锂离子电池硬币电池阴极中正电子注入剖面的模型。这些模型是锂离子电池薄阴极中多层几何结构及其界面可靠可视化的基础。
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引用次数: 0
Superconductors with a Topological Gap 具有拓扑间隙的超导体
IF 1.7 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-05-16 DOI: 10.3390/condmat8020046
M. Diamantini
I review a new superconductivity mechanism in which the gap is opened through a topological mechanism and not through the Landau mechanism of spontaneous symmetry breaking. As a consequence, the low-energy effective theory which describes these new superconductors is not the Landau–Ginzburg theory, formulated in terms of a local-order parameter, but a topological-field theory formulated in terms of emerging gauge fields. This new mechanism is realized as global superconductivty in Josephson junction arrays and in thin superconducting films with thicknesses comparable to the superconducting coherence length, which exhibits emergent granularity.
我回顾了一种新的超导机制,其中间隙是通过拓扑机制打开的,而不是通过自发对称性破缺的朗道机制。因此,描述这些新超导体的低能有效理论不是根据局部阶参数公式化的Landau–Ginzburg理论,而是根据新兴规范场公式化的拓扑场论。这一新机制在约瑟夫逊结阵列和厚度与超导相干长度相当的超导薄膜中实现为全局超导,表现出出出出射粒度。
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引用次数: 0
Strong-Coupling Behavior of the Critical Temperature of Pb/Ag, Pb/Cu and Pb/Al Nanocomposites Explained by Proximity Eliashberg Theory 用接近Eliashberg理论解释Pb/Ag、Pb/Cu和Pb/Al纳米复合材料临界温度的强耦合行为
Q3 PHYSICS, CONDENSED MATTER Pub Date : 2023-05-12 DOI: 10.3390/condmat8020045
Giovanni Alberto Ummarino
The experimental critical temperature of the systems of superconducting (Pb) and normal (Ag, Cu and Al) nanoparticles, with a random distribution and sizes less than their respective coherence lengths, is governed by the proximity effect, as shown by the experimental data. At first glance, the behavior of the variation in the critical temperature in function of the ratio of volume fractions of the superconducting and the normal metal components seems to suggest a weak coupling behavior for the superconductor. In reality, upon a more careful analysis, using Eliashberg’s theory for the proximity effect, the system instead shows a strong coupling nature. The most interesting thing is that the theory has no free parameters and perfectly explains the behavior of the experimental data just with the assumption in the case of the nanoparticles Ag and Cu, that the value of the density of states at the Fermi level of silver and copper is equal to the value of lead.
实验数据表明,超导(Pb)纳米粒子和正常(Ag、Cu和Al)纳米粒子体系的实验临界温度受邻近效应的支配,它们的分布是随机的,且尺寸小于它们各自的相干长度。乍一看,临界温度随超导和正常金属组分体积分数比的变化行为似乎表明超导体存在弱耦合行为。实际上,在使用Eliashberg的接近效应理论进行更仔细的分析后,系统反而显示出强耦合性质。最有趣的是,该理论没有自由参数,仅用银和铜纳米粒子的假设就完美地解释了实验数据的行为,即银和铜在费米能级上的态密度值等于铅的值。
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引用次数: 0
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Condensed Matter
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