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Role of electron–phonon coupling in charge transport of Janus WBNX2 (X= S, Se, Te) monolayers: A first-principles analysis 电子-声子耦合在Janus WBNX2 (X= S, Se, Te)单层电荷输运中的作用:第一性原理分析
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-03-01 Epub Date: 2026-01-08 DOI: 10.1016/j.physe.2026.116466
Tuan V. Vu , Vo T.T. Vi , A.I. Kartamyshev , Huynh V. Phuc , Nguyen T. Hiep , Nguyen N. Hieu
The exploration of multifunctional two-dimensional semiconductors with superior intrinsic properties is an ongoing hot topic for advancing next-generation electronic technologies. Herein, three Janus WBNX2 (X= S, Se, Te) monolayers are designed and their fundamental characteristics are systematically studied through the first-principles simulations. According to the obtained cohesive energies, phonon dispersions, ab initio molecular dynamics, and elastic calculations, the WBNS2, WBNSe2 and WBNTe2 structures are demonstrated to possess high crystal, dynamic, thermal and mechanical stabilities for experimental synthesis. The Raman spectra and vibrational properties of the WBNX2 systems are investigated to provide insights into their lattice dynamics. Electronic structure calculations reveal that the proposed WBNX2 monolayers are semiconductors with moderate bandgaps for applications in electronic and optoelectronic devices. Notably, the inclusion of spin–orbit coupling induces the spin energy splitting of the WBNX2 systems. The WBNSe2 exhibits high Rashba parameters, suggesting potential applications in the spintronic devices. Importantly, the total electron and hole mobilities of the WBNX2 materials are evaluated by considering different scattering mechanisms. Generally, the obtained carrier mobilities of the three WBNS2, WBNSe2 and WBNTe2 configurations are quite low and govern by of electron–phonon scatterings. The finding in our work highlight the promising prospects of the Janus WBNX2 materials for future nanotechnology applications.
探索具有优异内在特性的多功能二维半导体是推进下一代电子技术的一个热门话题。本文设计了三种Janus WBNX2 (X= S, Se, Te)单层膜,并通过第一性原理模拟系统地研究了其基本特性。根据得到的内聚能、声子色散、从头算分子动力学和弹性计算,证明WBNS2、WBNSe2和WBNTe2结构具有较高的晶体稳定性、动力学稳定性、热稳定性和力学稳定性,可用于实验合成。研究了WBNX2体系的拉曼光谱和振动特性,以提供对其晶格动力学的见解。电子结构计算表明,所提出的WBNX2单层是具有中等带隙的半导体,可用于电子和光电子器件。值得注意的是,自旋-轨道耦合诱导了WBNX2体系的自旋能量分裂。WBNSe2具有较高的Rashba参数,表明其在自旋电子器件中的潜在应用。重要的是,通过考虑不同的散射机制来评估WBNX2材料的总电子和空穴迁移率。总的来说,WBNS2、WBNSe2和WBNTe2三种构型的载流子迁移率都很低,并且受电子-声子散射的影响。我们的研究结果突出了Janus WBNX2材料在未来纳米技术应用中的广阔前景。
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引用次数: 0
Exploring electrical contact properties of emerging BC2N/graphene heterobilayers though vertical electric field 利用垂直电场研究新型BC2N/石墨烯异质层的电接触特性
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-03-01 Epub Date: 2026-01-08 DOI: 10.1016/j.physe.2026.116467
Huabing Shu , Yuqing Dong , Haiying Xu
Exploring semiconductor-semimetal electrical contact behaviors is highly desirable for developing high-performance nanoelectronic devices. Here, we construct ultrathin van der Waals heterostructures by integrating novel BC2N and graphene monolayers. Their interfacial electronic characteristics, as well as the tunable Schottky barriers and contact types, are explored deeply through first-principles calculations. The constructed BC2N/graphene heterobilayers are verified to be energetically favorable and dynamically stable. All of them feature p-type Schottky contacts, with Schottky barrier heights that vary significantly depending on the stacking configurations. The high carrier mobilities suggested by small effective masses of carriers in the BC2N/graphene and small tunneling resistivities of ∼10−9 Ω cm2 can cater high-performance Schottky devices. More interestingly, the vertical electric field can induce a contact transformation (from p-type to an n-type Schottky contact or Schottky to Ohmic contact) and significantly increase the probability of carrier tunneling in BC2N/graphene heterobilayers. These findings offer valuable guidance for designing high-performance, controllable Schottky nanodevices based on BC2N/graphene heterobilayers.
探索半导体-半金属电接触行为对于开发高性能纳米电子器件是非常必要的。在这里,我们通过集成新型BC2N和石墨烯单层来构建超薄范德华异质结构。通过第一性原理计算,深入探讨了它们的界面电子特性以及可调肖特基势垒和接触类型。所构建的BC2N/石墨烯异质层具有良好的能量和动态稳定性。它们都具有p型肖特基接触,肖特基势垒高度随堆叠构型的不同而显著变化。BC2N/石墨烯中载流子的有效质量小,载流子迁移率高,隧道电阻率小,为~ 10−9 Ω cm2,可以满足高性能肖特基器件的要求。更有趣的是,垂直电场可以诱导接触转变(从p型肖特基接触到n型肖特基接触或肖特基接触到欧姆接触),并显著增加BC2N/石墨烯异质层中载流子隧穿的概率。这些发现为设计基于BC2N/石墨烯异质层的高性能可控肖特基纳米器件提供了有价值的指导。
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引用次数: 0
Perfect circular dichroism of Haldane model quantum dots 霍尔丹模型量子点的完美圆二色性
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.physe.2026.116477
Krishna Rana Magar, Vadym Apalkov
We study theoretically a nonlinear circular dichroism of Haldane model quantum dots (QDs) placed in the field of an ultrashort and strong circularly polarized optical pulse. The main parameter of the Haldane model is the phase ϕ, which breaks the time-reversal symmetry of a QD system, resulting in intrinsic chirality of the Haldane model QDs and a finite circular dichroism. The circular dichroism of a QD system strongly depends on the QD shape. The crucial condition is the existence of almost degenerate in-gap QD edge states for zero intrinsic phase, ϕ=00. For hexagonal QDs and triangular QDs with armchair edges, at ϕ=00, the QDs do not have any degenerate edge states. For such systems, at finite values of the phase ϕ, a perfect circular dichroism can be realized. The smallest phase, at which a perfect circular dichroism can be achieved, increases with the field amplitude. Also, at a given phase ϕ, a circular dichroism decreases with increasing the field strength. The origin of a large circular dichroism for such QD systems is the low-energy chiral edge states, which are formed at finite values of ϕ of the Haldane model. But, if, at ϕ=00, a Haldane model QD has almost degenerate edge states, which is the case of a triangular QD with zigzag edges, then, for any parameters of the Haldane model, a perfect circular dichroism cannot be realized. In this case, a circular dichroism as a function of the phase, parameters of the Haldane model, and the field amplitude shows strongly nonmonotic dependence.
从理论上研究了置于超短强圆偏振光脉冲场中的霍尔丹模型量子点的非线性圆二色性。Haldane模型的主要参数是相位φ,它打破了量子点系统的时间反转对称性,导致Haldane模型量子点的本征手性和有限圆二色性。量子点系统的圆二色性很大程度上取决于量子点的形状。关键条件是存在几乎简并的隙内量子点边缘态,其中φ为0。对于带扶手椅边的六边形量子点和三角形量子点,在φ =00时,量子点不存在简并边态。对于这样的系统,在有限的相位φ值下,可以实现完美的圆二色性。可以实现完美圆二色性的最小相位随着场振幅的增加而增加。此外,在给定的相位φ下,圆二色性随着场强的增加而降低。这种量子点系统的大圆二色性的起源是低能手性边缘态,它是在Haldane模型的有限值的φ下形成的。但是,如果在φ =00时,Haldane模型QD具有几乎退化的边缘状态,即具有锯齿形边缘的三角形QD的情况,则对于Haldane模型的任何参数,都不能实现完美的圆二色性。在这种情况下,圆二色性作为相位的函数,霍尔丹模型的参数,以及场振幅表现出强烈的非单调依赖性。
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引用次数: 0
Spin-dependent transport in long semiconductor heterostructures with Rashba effect: A Green’s function approach 具有Rashba效应的长半导体异质结构中自旋相关输运:格林函数方法
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-18 DOI: 10.1016/j.physe.2025.116451
Luna R.N. Oliveira , Cleber F.N. Marchiori , Carlos Moyses Araujo , Marcos G.E. da Luz
The Rashba effect is a manifestation of spin–orbit coupling in systems with structural inversion asymmetry, resulting in a spin-dependent splitting of energy bands in low-dimensional systems. This gives rise to diverse spin-dependent phenomena in semiconductor heterostructures, offering significant potential for spintronic applications. However, a comprehensive theoretical characterization remains incomplete, since most existing approaches are restricted to relatively small structures. In this work, we combine the well-established eight-band Kane model and envelope-function formalism with a recently developed Green’s function approach. The framework allows to obtain analytical expressions for the spin-dependent coherent transport in semiconductor heterostructures with an arbitrary number N of cells exhibiting the Rashba effect. In addition, we propose guidelines for enhancing spin polarization and spin-miniband separation in extended semiconductor heterostructures by tuning structural inversion asymmetry. Furthermore, we find that as a geometric parameter is varied, the spin-splitting dynamics present the quantum avoided-crossing behavior. We finally show that, for suitably designed heterostructures, the polarization bands can exhibit step-like (rectangular-wave) profiles. Although our examples focus on GaAs/In-based systems, the results are expected to hold for other semiconductor materials as well.
Rashba效应是结构反转不对称系统中自旋-轨道耦合的一种表现,导致低维系统中能带的自旋依赖分裂。这在半导体异质结构中产生了不同的自旋依赖现象,为自旋电子的应用提供了巨大的潜力。然而,一个全面的理论表征仍然不完整,因为大多数现有的方法仅限于相对较小的结构。在这项工作中,我们将完善的八波段凯恩模型和包络函数形式主义与最近开发的格林函数方法相结合。该框架允许获得半导体异质结构中具有任意N个显示Rashba效应的细胞的自旋相关相干输运的解析表达式。此外,我们还提出了通过调整结构反转不对称来增强扩展半导体异质结构中自旋极化和自旋微带分离的指导方针。此外,我们发现随着几何参数的变化,自旋分裂动力学表现出量子避交行为。我们最后证明,在适当设计的异质结构下,极化带可以呈现阶梯状(矩形波)轮廓。虽然我们的例子集中在基于GaAs/ in的系统上,但预计结果也适用于其他半导体材料。
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引用次数: 0
Investigation of defect states, free volume, and interphase interactions in β-Ga2O3/CNT polymer nanocomposites β-Ga2O3/CNT聚合物纳米复合材料的缺陷态、自由体积和界面相互作用研究
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-20 DOI: 10.1016/j.physe.2025.116450
S.A. Ahmadova , Samir F. Samadov , G.B. Ibragimov , I.I. Vinogradov , A.A. Sidorin , D.M. Mirzayeva , B. Mauyey , S. Sakhabayeva , P. Th Le , Matlab N. Mirzayev
Breakthrough innovations continue in the field of developing and studying new-generation materials with superior optical and mechanical properties. In this research, we investigated the defect characteristics, as well as the modification of the local bonding environment and interphase interactions, in a nanocomposite material formed by incorporating β-Ga2O3 and carbon nanotubes (CNTs) into a polyvinylidene fluoride (PVDF) matrix using positron annihilation lifetime spectroscopy (PALS) and Raman spectroscopy. Raman studies show that the D and G bands, which are indicators of the structural quality of carbon nanotubes, exhibit weak additional vibrational modes that can be associated with distortions of the β-Ga2O3 lattice and modifications of the local Ga–O coordination environment, rather than with the ideal crystalline structure. The observed peak shifts and intensity changes indicate a transition of the interphase interaction into an amorphous state, accompanied by the formation of internal structural stress and defect centers. With increasing β-Ga2O3 concentration in the composite material, the decrease in the ID/IG ratio reveals the formation of chemical bonds that strengthen the oxide layer on the surface of the carbon nanotubes. PALS analysis results clearly demonstrated that the type and size of defects strongly depend on the ratio of Ga2O3 to carbon nanotubes in the composite. In pure β-Ga2O3 structures, medium-sized vacancy clusters (τ2 = 369 ps) are present, while in carbon nanotubes (τ2 = 685 ps), and in the composite samples based on them, the τ2 component increases up to 853 ps. Analysis based on the two-state trapping model showed that the changes in the τb, kd, and τ2 – τb parameters indicate the occurrence of porosity and defect clustering processes in the composite structure depending on the CNT and β-Ga2O3 ratios. The obtained results suggest that new polymer-based composite materials with highly porous structures can serve as fundamental elements in sensor technology, optoelectronic devices, and radiation-resistant equipment.
在开发和研究具有卓越光学和机械性能的新一代材料领域,突破性创新不断涌现。在这项研究中,我们利用正电子湮灭寿命光谱(PALS)和拉曼光谱研究了在聚偏氟乙烯(PVDF)基体中加入β-Ga2O3和碳纳米管(CNTs)形成的纳米复合材料的缺陷特征,以及局部键合环境和间相相互作用的改变。拉曼研究表明,作为碳纳米管结构质量指标的D带和G带表现出微弱的附加振动模式,这可能与β-Ga2O3晶格的畸变和局部Ga-O配位环境的改变有关,而不是与理想的晶体结构有关。观察到的峰移和强度变化表明相间相互作用转变为非晶态,并伴随着内部结构应力和缺陷中心的形成。随着复合材料中β-Ga2O3浓度的增加,ID/IG比值的降低表明碳纳米管表面形成了化学键,强化了氧化层。PALS分析结果清楚地表明,缺陷的类型和尺寸与复合材料中Ga2O3与碳纳米管的比例密切相关。在纯β-Ga2O3结构中,存在中等空位团簇(τ2 = 369 ps),而在碳纳米管(τ2 = 685 ps)中,基于它们的复合材料样品中,τ2组分增加到853 ps。基于双态俘获模型的分析表明,τb、kd和τ2 - τb参数的变化表明复合材料结构中存在孔隙和缺陷团簇过程,这取决于碳纳米管和β-Ga2O3的比例。研究结果表明,具有高多孔结构的新型聚合物基复合材料可以作为传感器技术、光电器件和抗辐射设备的基础元件。
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引用次数: 0
Majorana edge and end states in planar Josephson junctions 平面Josephson结的Majorana边和端态
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-09 DOI: 10.1016/j.physe.2025.116444
A.P. Garrido , P.A. Orellana , A. Matos-Abiague
We theoretically investigate the localization properties of Majorana states (MSs) in proximitized, planar Josephson Junctions (JJs) oriented along different crystallographic orientations and in the presence of an in-plane magnetic field and Rashba and Dresselhaus spin–orbit couplings. We show that two types of MSs may emerge when the junction transits into the topological superconducting state. In one case, referred to as end-like MSs, the Majorana quasiparticles are mainly localized inside the normal region at the opposite ends of the junction. In contrast, edge-like MSs extend along the opposite edges of the system, perpendicular to the junction channel. We show how the MSs can transit from end-like to edge-like and vice versa by tuning the magnetic field strength and/or the superconducting phase difference across the junction. In the case of phase-unbiased JJs the transition may occur as the ground state phase difference self-adjusts its value when the Zeeman field is varied. We propose exploiting the extended nature of edge-like MSs as effective interconnects enabling the coupling between topological states in adjacent planar JJs. The impact of electrostatic disorder on the MSs is also analyzed.
我们从理论上研究了沿不同晶体取向取向、面内磁场和Rashba和Dresselhaus自旋轨道耦合存在下的近似平面Josephson结(JJs)中Majorana态(MSs)的局域化性质。我们发现,当结过渡到拓扑超导态时,可能会出现两种类型的MSs。在一种情况下,被称为端状MSs, Majorana准粒子主要定位在结的两端的正常区域内。相反,边缘状MSs沿着系统的相反边缘延伸,垂直于结通道。我们展示了MSs如何通过调整磁场强度和/或跨结的超导相位差从端状过渡到边缘状,反之亦然。对于相位无偏的JJs,当塞曼场变化时,基态相位差会自调整其值,从而发生相变。我们建议利用类边MSs的扩展特性作为有效的互连,使相邻平面JJs的拓扑状态之间能够耦合。并分析了静电无序对MSs的影响。
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引用次数: 0
Optoelectronic applications of hexadecafluoro zinc phthalocyanine (ZnPcF16) thin films: structural, morphological, and optical characteristics 十六氟酞菁锌(ZnPcF16)薄膜的光电应用:结构、形态和光学特性
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-10 DOI: 10.1016/j.physe.2025.116446
A.M. Hassanien
The structural, morphological, and optical spectroscopic properties of hexadecafluoro zinc phthalocyanine (ZnPcF16) are promising investigations that can be useful in optoelectronic applications. The nature of the crystallographic structure and morphology characteristics were explored by field emission scanning electron microscopy (FESEM), and X-ray diffraction (XRD) investigations. To determine some crucial optical properties of the ZnPcF16 dye in solution, such as absorption peaks position, photoluminescence emission peaks position, oscillator strengths (f) and electric dipole strength (q2), spectrum behavior of the absorbance, fluorescent properties, and molar absorption coefficient spectra of ZnPcF16 in Dimethyl Sulfoxide (DMSO) were examined. Absorbance spectra, transmittance, reflectance, and photoluminescence (PL) of ZnPcF16 thin films before and after annealing at 373 K & 473 K in an air ambient for 2 h were used to deduce the optical band transitions, emission peaks position, and dispersion behaviour. This study demonstrates that the ZnPcF16 organic compound is characterized by good thermal stability, appropriate optical band gap, and dielectric properties, which offer potential uses as an active photonic organic material and should be properly addressed in the device design of optoelectronic technological devices.
十六氟锌酞菁(ZnPcF16)的结构、形态和光谱学性质在光电子领域具有重要的应用前景。通过场发射扫描电镜(FESEM)和x射线衍射(XRD)研究了晶体结构的性质和形貌特征。为了确定ZnPcF16染料在溶液中的吸收峰位置、光致发光发射峰位置、振荡器强度(f)和电偶极子强度(q2)等关键光学性质,研究了ZnPcF16在二甲亚砜(DMSO)中的吸光度、荧光性质和摩尔吸收系数光谱的光谱行为。利用ZnPcF16薄膜在373 K和473 K空气环境中退火2 h前后的吸光度光谱、透射率、反射率和光致发光(PL)来推断其光带跃迁、发射峰位置和色散行为。本研究表明,ZnPcF16有机化合物具有良好的热稳定性、合适的光学带隙和介电性能,作为有源光子有机材料具有潜在的应用前景,应在光电技术器件的器件设计中予以适当的解决。
{"title":"Optoelectronic applications of hexadecafluoro zinc phthalocyanine (ZnPcF16) thin films: structural, morphological, and optical characteristics","authors":"A.M. Hassanien","doi":"10.1016/j.physe.2025.116446","DOIUrl":"10.1016/j.physe.2025.116446","url":null,"abstract":"<div><div>The structural, morphological, and optical spectroscopic properties of hexadecafluoro zinc phthalocyanine <strong>(ZnPcF16)</strong> are promising investigations that can be useful in optoelectronic applications. The nature of the crystallographic structure and morphology characteristics were explored by field emission scanning electron microscopy (FESEM), and X-ray diffraction (XRD) investigations. To determine some crucial optical properties of the <strong>ZnPcF16</strong> dye in solution, such as absorption peaks position, photoluminescence emission peaks position, oscillator strengths (<span><math><mrow><mi>f</mi></mrow></math></span>) and electric dipole strength (<span><math><mrow><msup><mi>q</mi><mn>2</mn></msup></mrow></math></span>), spectrum behavior of the absorbance, fluorescent properties, and molar absorption coefficient spectra of <strong>ZnPcF16</strong> in Dimethyl Sulfoxide (DMSO) were examined. Absorbance spectra, transmittance, reflectance, and photoluminescence (PL) of <strong>ZnPcF16</strong> thin films before and after annealing at 373 K &amp; 473 K in an air ambient for 2 h were used to deduce the optical band transitions, emission peaks position, and dispersion behaviour. This study demonstrates that the <strong>ZnPcF16</strong> organic compound is characterized by good thermal stability, appropriate optical band gap, and dielectric properties, which offer potential uses as an active photonic organic material and should be properly addressed in the device design of optoelectronic technological devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116446"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tunable thermopower in gapped 8-Pmmn borophene 间隙8-Pmmn硼烯的可调热功率
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-01 DOI: 10.1016/j.physe.2025.116438
Doan M. Quang , Nguyen Q. Bau , Le T.T. Phuong , Bui D. Hoi
We investigate the thermoelectric transport properties of gapped tilted-8-Pmmn borophene, a two-dimensional boron allotrope with anisotropic electronic dispersion, using the semiclassical Boltzmann transport theory within the constant relaxation time approximation. The low-energy effective Hamiltonian incorporates a tilted Dirac cone structure with an induced bandgap, tunable via strain or substrate interactions. We calculate the electrical conductivity, Seebeck coefficient, and thermopower as functions of chemical potential, energy gap, and thermal energy. Our results reveal pronounced transport anisotropy in the x- and y-directions, with the x-direction exhibiting higher conductivity and thermopower. Increasing the bandgap enhances the Seebeck coefficient and thermopower by aligning the Fermi level with the band edges, while higher temperatures boost conductivity at the expense of the Seebeck coefficient. These findings highlight the potential of gapped 8-Pmmn borophene for nanoscale thermoelectric applications.
利用半经典玻尔兹曼输运理论,在恒定弛豫时间近似下,研究了具有各向异性电子色散的二维硼同素异体-8- pmmn的间隙倾斜硼苯的热电输运性质。低能有效哈密顿量包含一个倾斜的狄拉克锥结构,具有诱导带隙,可通过应变或衬底相互作用进行调节。我们计算电导率、塞贝克系数和热功率作为化学势、能隙和热能的函数。我们的研究结果揭示了在x和y方向上明显的输运各向异性,其中x方向表现出更高的电导率和热功率。增大带隙可以使费米能级与带边对齐,从而提高塞贝克系数和热功率,而温度升高则以塞贝克系数为代价提高电导率。这些发现突出了缺口8-Pmmn硼罗芬在纳米级热电应用中的潜力。
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引用次数: 0
Optical response of a semiconductor quantum dot ‒ metal nano-ellipsoid hybrid system 半导体量子点-金属纳米椭球混合系统的光学响应
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-05 DOI: 10.1016/j.physe.2025.116437
Spyridon G. Kosionis, Alexandros Sarafidis, Emmanuel Paspalakis
We study the optical response of a semiconductor quantum dot coupled via Coulomb interaction to an ellipsoidal metal nanoparticle under weak coherent excitation. Using the density matrix formalism, we derive analytical expressions for the linear susceptibilities of both components of the hybrid nanostructure. We analyze how the dispersion and absorption spectra depend on the orientation and eccentricity of the metal nano-ellipsoid, the polarization of the incident field, and the interparticle distance. Our results highlight the precise conditions for pronounced gain enhancement without population inversion. Comparison with a quantum dot coupled to a metal nanosphere demonstrates that the observed gain enhancement originates from coherent exciton-plasmon interactions, a mechanism with direct implications for next-generation quantum devices.
研究了在弱相干激励下,通过库仑相互作用耦合的半导体量子点与椭球形金属纳米粒子的光学响应。利用密度矩阵的形式,我们导出了混合纳米结构两组分线性磁化率的解析表达式。分析了金属纳米椭球的取向和偏心率、入射场极化和粒子间距离对色散和吸收光谱的影响。我们的结果强调了在没有人口反转的情况下显著增益增强的精确条件。与量子点与金属纳米球耦合的比较表明,观察到的增益增强源于相干激子-等离子体相互作用,这一机制对下一代量子器件具有直接意义。
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引用次数: 0
Structural and electronic properties, quantum capacitance of Pt-adsorbed Zr2CT2 (T = O, S, Se, F, Cl, Br, I) as supercapacitor electrode materials: First-principle predictions pt吸附Zr2CT2 (T = O, S, Se, F, Cl, Br, I)作为超级电容器电极材料的结构和电子性质、量子电容:第一性原理预测
IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Pub Date : 2026-02-01 Epub Date: 2025-12-22 DOI: 10.1016/j.physe.2025.116452
Peng-Fei Liu , Xiao-Hong Li , Rui-Zhou Zhang , Hong-Ling Cui
The electronic properties and quantum capacitance of Pt-adsorbed Zr2CT2 (T = O, S, Se, F, Cl, Br, I) are explored by density functional theory (DFT). The most stable adsorption configurations are confirmed for all systems. Compared to pristine Zr2CO2, Pt adsorption causes the increase of band gap. Pt-Zr2CO2 exhibits an indirect bandgap semiconductor of 1.36 eV, while other systems show metallic behavior. Pt donates electrons to substrate material for Pt-Zr2CO2 and gains electrons from the substrate for other systems, especially Pt atom in Pt-Zr2CF2 gains the most electrons (0.61e). Pt-Zr2CT2 with group VII elements are anode materials in whole voltage, with the maximum surface storage charge (Q) at negative bias ranging from 69.58 to 93.05 μC/cm2 at aqueous system. Pt-Zr2CT2 (T = O, S, Se) are cathode materials in ionic/organic system. Pt-Zr2CT2 with mixed terminations are all anode materials in whole voltage.
利用密度泛函理论(DFT)研究了pt吸附Zr2CT2 (T = O, S, Se, F, Cl, Br, I)的电子性质和量子电容。确定了所有体系的最稳定吸附构型。与原始Zr2CO2相比,Pt吸附导致带隙增大。Pt-Zr2CO2表现出1.36 eV的间接带隙半导体,而其他体系表现出金属行为。在Pt- zr2co2体系中,Pt原子向衬底材料提供电子,在其他体系中,Pt原子从衬底获得电子,特别是Pt- zr2cf2中的Pt原子获得电子最多(0.61e)。含VII族元素的Pt-Zr2CT2是全电压下的正极材料,在水溶液体系中负偏压下的最大表面存储电荷Q值在69.58 ~ 93.05 μC/cm2之间。Pt-Zr2CT2 (T = O, S, Se)是离子/有机体系中的正极材料。混合端子Pt-Zr2CT2在全电压下均为正极材料。
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Physica E-low-dimensional Systems & Nanostructures
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