碳、氧、硫掺杂二维黑磷的第一性原理计算

基于密度泛函理论的第一性原理平面波赝势方法,研究了二维黑磷中的碳原子(C P)、氧原子(C P)、硫原子(S P)掺杂的几何结构、磁学性质和电子结构.发现掺杂体系结构稳定,C P和O P体系形变较大,而S P体系形变较小;二维黑磷本身无磁矩,掺杂后都具有1μB的总磁矩.由于掺杂体系具有稳定的铁磁性,使其在自旋电子器件方面可发挥重要的作用.     

低维黑磷的合成及其抗氧化研究

二维黑磷（2D-BP）和黑磷量子点（BP-QDs）等低维黑磷材料在结构和光电性能方面表现出巨大的潜在应用价值,但其仍面临着合成不可控和抗氧化性差等问题。通过引入微波法实现了低维黑磷的简便、低成本合成;研究了微波退火温度和退火时间对低维黑磷结构、形貌和光致发光性能的影响;通过原子层沉积法在BP-QDs样品表面沉积氧化铝（Al₂O₃）保护层,研究了Al₂O₃薄膜厚度对BP-QDs抗氧化性的影响。结果表明：随着微波退火温度的增加,量子点尺寸逐渐减小,光致发光发射峰出现蓝移,这说明反应温度会影响材料的尺寸,进而影响其带隙和光致发光特性;当微波退火时间持续增加时,黑磷纳米片被逐渐剥离并形成BP-QDs;当微波退火温度和时间分别为250℃和4 h时,BP-QDs分布均匀且尺寸更小;随着Al₂O₃膜厚的增加,保护性能越来越好;当Al₂O₃薄膜厚度为20 nm时,BP-QDs在空气中的抗氧化性最佳。     

二维冰相I的电子和光学性质

二维冰是典型的原子制造技术获得的新型原子级材料,其结构和成核生长在材料科学、摩擦学、生物学、大气科学和行星科学等众多领域具有至关重要的作用.虽然二维冰的结构性质已被广泛研究,但对其电学和光学性质知之甚少.本文通过密度泛函理论和线性响应理论计算了二维冰相I在零温时的主要电学、光学、介电性质和红外光谱.其次,利用从头算分子...     

二维量子片及其光学研究进展

以石墨烯为代表的二维材料因其独特的结构和优异性能而受到广泛关注.随着二维材料在无限小的方向不断发展,二维(材料)量子片逐渐引起人们极大的兴趣.二维量子片不仅保留了二维材料的本征特性,而且表现出量子限域和突出的边缘效应,为二维材料的潜在应用带来全新机遇.本文详细介绍了二维量子片的基本概念,制备现状与光学性能的研究进展,特...     

二维傅里叶变换光谱实验方法简介

二维傅里叶变换光谱是近几十年来发展起来的一种先进光谱技术. 与其他超快光谱方法相比,它具有许多优点,并且为研究各种复杂系统提供了巨大的机会. 然而,二维傅里叶变换光谱的系统搭建、实验测量和理论描述仍面临许多挑战,从而限制了其广泛应用. 近年来,随着超快激光等各种相关技术的发展和革新,二维傅里叶变换光谱方法也逐渐发展成熟,进而大大降低了进行二维傅里叶变换光谱实验的技术壁垒. 对于二维傅里叶变换光谱实验装置的光学设计,目前存在许多不同的方法,每种方法都有其自身的优点和局限性. 但是目前还没有一个简单的教程可以帮助实验工作者选择搭建其第一套二维傅里叶变换光谱实验装置. 因此,本文旨在为计划搭建其第一套二维傅里叶变换光谱实验装置的初学者提供一个简短的介绍.     

二维缺陷GaAs电子结构和光学性质第一性原理研究

采用基于密度泛函理论的第一性原理方法计算了存在Ga空位缺陷和掺杂B原子的二维GaAs的能带结构、态密度和光学性质.计算结果表明空位缺陷二维GaAs显示出金属特性,B原子的引入使体系变为间接带隙半导体,禁带宽度为0.35 eV.态密度计算发现体系低能带主要由Ga的s态、p态、d态和As的s态、p态构成;高能带主要由Ga和As的s态、p态构成.掺杂B原子与存在空位缺陷的二维GaAs相比,静态介电常数相对较低,变为8.42,且易于吸收紫外光,在3.90～8.63 eV能量范围具有金属反射特性,反射率达到52%.     

新型二维拉胀材料SiGeS的理论预测及其光电性质

二维材料由于其在力学、电学以及光学等领域的潜在应用而受到广泛关注.基于第一性原理计算,通过有序地排列SiH3SGeH3的Si-S-Ge骨架,设计了一种全新的二维材料SiGeS.单层SiGeS具有良好的能量、动力学以及热力学稳定性. SiGeS具有非常罕见的负泊松比.此外,单层SiGeS是间接带隙半导体,其带隙值为1.95 eV.在应变的作用下, SiGeS可转变为带隙范围为1.32—1.58 eV的直接带隙半导体,可被应用在光学或半导体领域.同时,本征SiGeS拥有优异光吸收能力,其最高光吸收系数可达约10~5 cm^–1,吸收范围主要在可见光到紫外波段.在应变下,光吸收范围可覆盖到整个红外波段.这些有趣的性质使得SiGeS成为一种多功能材料,有望被用于纳米电子、纳米力学以及纳米光学等领域.     

二维相关红外光谱法鉴别不同染发剂染色头发

采用红外光谱法(FTIR)并结合二维相关光谱分析技术,对不同染发剂染过的头发进行了鉴别研究,普通头发和染过的头发在一维谱图上差别不显著,而在二维谱图上具有显著性的差别。在1000—2000cm-1区域同步相关红外谱图上,普通头发与高档染发剂染色的头发在1500cm-1附近有3个强的自动峰,2个弱的自动峰。低档染发剂染色的头发在1500cm-1附近有3个弱的自动峰,在2000cm-1附近有3个弱的自动峰。在2800—4000cm-1区域同步相关红外谱图上,普通头发与高档染发剂染色的头发在3300cm-1附近有1个强的自动峰,1个弱的自动峰。低档染发剂染色的头发在3400cm-1附近有1个弱的自动峰。在异步谱图上普通头发与高档染发剂染色的头发也相似,同时区别于低档染发剂染色的头发。     

Optical properties of two-dimensional perovskites

The optical properties of two-dimensional (2D) perovskites recently receive numerous research focus thanks to the strong quantum and dielectric confinement effects. In addition to the strong excitonic effect at room temperature, 2D perovskites also have appealing features that their optical properties can be flexibly tuned by alternating organic or inorganic layers. Particularly, 2D chiral perovskites and 2D perovskites based heterostructures are emerging as new platforms to extend their functionalities. To optimize performance of 2D perovskites-based optoelectronic devices, it is critical to understand the fundamentals and explore the strategies to engineer their optical properties. This review begins with an introduction to the excitons and self-trapped excitons of 2D perovskites. Subsequently, inorganic/organic layer effects on optical properties and 2D perovskites based heterostructures are discussed. We also discussed the nonlinear optical properties of 2D perovskite. We are looking forward to that this review can stimulate more efforts to understand and optimize the optical properties of 2D perovskites.     

Infrared radiative properties of two-dimensional square optical black holes

Optical black hole (OBH) is a special optical structure, in which the dielectric function or refractive index of media becomes gradually larger from the outside to the core. The circular optical black holes (COBH) have been proved remarkably useful for broadband omnidirectional light absorption. The main goal of this paper is to propose an alternative square structure of OBH due to fabrication consideration. The infrared radiative properties of two-dimensional SOBHs are numerically studied with geometric optics approximation (GOA) and the finite-difference time-domain (FDTD) method. A critical wavelength is found in this paper: when the wavelength is smaller than half of the inner core side length, the Poynting vectors obtained by the FDTD method agree well with the ray trajectories calculated by the GOA, and the absorptance is nearly 100% with a proper refractive index gradient. While the wavelength is increasing, the net energy flows do not agree with the ray trajectories and the absorptance will be decreased. The reason is attributed to the diffraction effect, which is discussed in detail in this paper.     

Toward high-performance two-dimensional black phosphorus electronic and optoelectronic devices

Recently, black phosphorus(BP) has joined the two-dimensional material family as a promising candidate for electronic and photonic applications due to its moderate bandgap, high carrier mobility, and unusual in-plane anisotropy. Here,we review recent progress in BP-based devices, such as field-effect transistors, contact resistance, quantum transport, stability, photodetector, heterostructure, and in-plane anisotropy. We also give our perspectives on future BP research directions.     

Electronic and optical properties of black phosphorus doped with Au,Sn and I atoms

In this study, the electronic and the optical properties of monolayer black phosphorus (BP) doped with Gold (Au), Tin (Sn) and Iodine (I) atoms have been investigated by the density-functional theory (DFT) method. In the calculations, the electronic and the optical properties of monolayer BP have been substantially changed with doping. Monolayer BP has a narrow bandgap as 0.85 eV, BP doped with these atoms, results in a metallic behaviour and nearly spin gapless band gap behaviour. The dielectric constant of BP which shows anisotropic optical properties due to different edge states as zigzag and armchair has been changed with doping especially with Au.     

黑磷各向异性拉曼光谱表征及电学特性

采用机械剥离法制备出层状黑磷,通过微纳加工制备0°—360°四对对称电极并以黑磷作为沟道材料的背栅型场效应晶体管,对层状黑磷的拉曼光谱及其场效晶体管的电学输运特性进行了研究.偏振拉曼图谱结果表明,黑磷的3个特征峰强度随偏振角改变呈现180°周期变化;不同角度电极源漏电流表明,黑磷在0°(180°)扶手椅方向附近呈现最大...     

Thermal properties of two-dimensional materials

Two-dimensional(2D) materials, such as graphene, phosphorene, and transition metal dichalcogenides(e.g., Mo S2 and WS2), have attracted a great deal of attention recently due to their extraordinary structural, mechanical, and physical properties. In particular, 2D materials have shown great potential for thermal management and thermoelectric energy generation. In this article, we review the recent advances in the study of thermal properties of 2D materials. We first review some important aspects in thermal conductivity of graphene and discuss the possibility to enhance the ultra-high thermal conductivity of graphene. Next, we discuss thermal conductivity of Mo S2 and the new strategy for thermal management of Mo S2 device. Subsequently, we discuss the anisotropic thermal properties of phosphorene. Finally, we review the application of 2D materials in thermal devices, including thermal rectifier and thermal modulator.     

光学"黑盒子"实验

设计了物理奥林匹克竞赛训练实验室：光学“实验，介绍了试题的设计思想和实验内容，给出了试题的参考答案。     

Insight into the growth mechanism of black phosphorus

Two-dimensional (2D) black phosphorus (BP) has attracted great attention in recent years in fundamental research as well as optoelectronics applications. The controllable synthesis of high-quality BP is vital to the investigation of its intrinsic physical properties and versatile applications. Originally, BP was mostly synthesized under high temperatures and pressures. Subsequently, metal flux, wet chemical and chemical vapor transport (CVT) methods had been appeared successively. The pulsed laser deposition (PLD) and CVT methods have been used to prepare high-quality BP thin films on silicon substrates, which is significant for its monolithic integration and practical applications. To meet the demand of the scalable applications of BP, the direct preparation of BP films on dielectric substrates that avoids additional transfer process, is crucial to high-performance device implementation. In this review, the growing methods and corresponding mechanisms of BP are summarized and analyzed. Meanwhile, the view on the controllable growth of large-area, high-quality BP films is envisioned.     

基于black phosphorus纳米棒耦合的等离激元诱导透明

提出了基于black phosphorus(BP)纳米棒耦合的多频段等离激元诱导透明(PIT)电磁模型,通过FDTD和辐射双振荡器(RTO)模型从数值计算和理论研究两方面分析了模型的电磁特性.结果表明:由于不同长度的BP纳米棒之间的明-明耦合,可以在实现单频段PIT效应的基础之上,进一步产生双频段和三频段的PIT效应....     

Positive magnetoconductance and dephasing in strongly localized black phosphorus

We study the magnetoconductance and dephasing in a strongly localized regime in black phosphorus (BP) devices. The phase coherence length, l_φ obtained from the magnetoconductance follows a temperature dependence of T^–1/3 in the strongly localized regime with k_Fl_e < 1 (ξ < l_φ) based on the Ioffe–Regel criterion. Here k_F, l_e and ξ are the Fermi wave vector, mean free path and localization length, respectively. The conductance behavior as a function of temperature confirms that the transport regime of our BP is in a variable‐range‐hopping regime, which results in the strongly localized regime.