氮掺杂手性碳纳米管的电子结构和输运特性的理论研究

运用第一性原理的密度泛函理论,结合非平衡格林函数,研究了氮原子取代掺杂手性单壁(6,3)碳纳米管的电子结构和输运特性.计算结果表明:不同构形和不同数目的氮原子取代掺杂对手性碳管的输运性质有很复杂的影响.研究发现,氮原子掺杂明显改变了碳管的电子结构,使金属型手性碳管的输运性能降低,电流-电压曲线呈非线性变化,而且输运性能随着杂质原子间间距的变化而发生显著改变.在一定条件下,金属型碳管向半导体型转变. 关键词： 手性单壁碳纳米管 氮掺杂 电子结构 输运性能     

4H-SiC中基面位错发光特性研究

本文利用阴极荧光(CL)和选择性刻蚀的方法对4H-SiC同质外延材料中基面位错的发光特性进行了研究. 结果表明螺型基面位错(B_TSD)和混合型基面位错(B_MD)分别具有绿光和蓝绿光特性,其发光峰分别在530 nm附近和480 nm附近. 从测试结果中还发现B_MD 的发光位较B_TSD有所蓝移,分析认为B_TSD位错芯附近原子沿伯格斯 关键词： 4H-SiC 基面位错 发光特性 禁带宽度     

钶铁矿型MnNb2O6的熔盐法合成、钒掺杂与磁性研究

采用了熔盐法新工艺制备了纯相与掺钒的MnNb₂O₆粉晶,利用X射线衍射仪(XRD),扫描电子显微镜(SEM),能谱分析(EDX),透射电子显微镜(TEM)、高分辨透射电镜(HRTEM)和电子衍射(SAED)分析了其物相、形貌及微结构.结果表明合成产物为正交晶系钶铁矿型MnNb₂O₆;在不同的熔盐中合成出了棒状、片状与长方体形貌的纯相产物.讨论了温度与掺杂对结构与形貌的影响,HRTEM与SAED分析表明了产物的各向异性生 关键词： 熔盐法 结构与形貌 掺杂 反铁磁性     

Co50Fe25-xMnxSi25系列合金的结构、磁性和半金属性研究

利用实验和能带计算相结合的方法,对介于两种预期的半金属Heusler合金Co₂FeSi和Co₂MnSi间的四元合金Co₅₀Fe_25-xMn_xSi₂₅的晶体结构、磁性、能带结构和半金属性进行了研究.采用考虑库仑相互作用的的广义梯度近似方法计算了系列合金的能带结构,通过与实验结果进行对比,揭示了成分变化过程中合金分子磁矩及原子磁矩的变化规律.研究发现, 关键词： 磁性 半金属 Heusler合金     

环保型制冷剂R600a制冷系统设计及其维修工艺

大气臭氧层的破坏和温室效应的加剧,是当前世界面临的主要环境问题。文中通过对R600a制冷剂物理化学特性的介绍以及与R12制冷剂的对比,得出在冰箱领域,R600a是一种可以永久替代CFCs的环保型制冷剂,分析了R600a替代R12的制冷系统设计的一些要点,最后基于提高工作效率以及保障操作安全的考虑,阐述了R600a冰箱的维修工艺。     

高度均一ZnO纳米梭的水热法制备及其性能

以六亚甲基四胺和硝酸锌为原料,采用水热法在90℃条件下反应24h,于Si衬底上制备出一维ZnO纳米梭材料.采用场发射扫描电镜、X射线衍射仪和高分辨透射电镜等方法对样品形貌和晶体结构进行了表征.结果表明,所得ZnO纳米梭形貌一致、尺寸均匀,为六方纤锌矿型结构,具有良好的结晶性能.对ZnO纳米梭的光致发光性能的研究表明,该...     

新型螺芴类蓝光材料的合成与性能

通过一系列反应成功合成了一种新型螺芴化合物DCSF,通过核磁共振氢谱(¹H NMR)、核磁共振碳谱(¹³C NMR)、质谱(MS)、傅立叶-红外(FT-IR)光谱对其结构进行表征,利用紫外可见吸收光谱、荧光光谱研究其发光性能。以硫酸奎宁的0.05 mol/L的硫酸溶液为标准,测定其荧光量子产率为0.391。通过循环伏安曲线,计算出DCSF的HOMO和LUMO能级的能隙E_g为3.20 eV。     

Hybrid states of Tamm plasmons and exciton-polaritons

We have demonstrated theoretically that it is possible to use the resonant coupling of exciton-polaritons in a planar microcavity and Tamm plasmons at a metal film on the surface of the structure to provide lateral spatial control of the exciton-polaritons within the cavity. The resonant coupling of the Tamm plasmons to cavity exciton-polaritons results in a triplet of hybrid plasmon–exciton-polariton modes with the lowest at a significantly lower energy than that of the unperturbed exciton-polaritons. Further, a patterned metal film on the structure surface can provide a sufficiently large lateral modulation of the excitation energy that localization of the exciton-polaritons within chosen regions of the cavity is possible. We show how the approach opens the way to a practical demonstration of polariton channels, traps, and devices, including logic gates.     

Eu-activated Ba2Mg(BO3)2 yellow-emitting phosphors for near ultraviolet-based light-emitting diodes

A series of Eu²⁺-activated Ba₂Mg(BO₃)₂ yellow phosphors were prepared by a high temperature solid-state reaction. The phosphor emits intense yellow light under near ultraviolet excitation. Large Stokes shift can be attributed to the asymmetric nature of the Eu site and the lack of rigidity in the host. The concentration self-quenching mechanism of Ba₂Mg(BO₃)₂:Eu²⁺ is d-d interaction and the critical transfer distance is calculated to be about 12.29 Å. Prototype light-emitting diodes were fabricated by coating the Ba₂Mg(BO₃)₂:0.07Eu²⁺ phosphor onto ∼370 nm-emitting InGaN chips. The LEDs exhibit intense yellow-emitting under a forward bias of 20 mA. The results indicate that Eu²⁺-activated Ba₂Mg(BO₃)₂ is a candidate as a yellow component for fabrication of near-UV white light-emitting diodes.     

First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb

The spin-polarized electronic band structures, density of states (DOS), and magnetic properties of Co-Mn-based Heusler alloys CoMnSb and Co₂MnSb have been studied by first-principles method. The calculations were performed by using the full-potential linearized augmented plane wave (FP-LAPW) within the spin-polarized density functional theory and generalized gradient approximation (GGA). Calculated electronic band structures and the density of states are discussed in terms of the contribution of Co 3d⁷4s², Mn 3d⁵4s², and Sb 5s²5p³ partial density of states and the spin magnetic moments were also calculated. The results reveal that both CoMnSb and Co₂MnSb have stable ferromagnetic ground state. They are ideal half-metallic (HM) ferromagnet at their equilibrium lattice constants. The calculated total spin magnetic moments are 3μ_B for CoMnSb and 6μ_B for Co₂MnSb per unit cell, which agree with the Slater-Pauling rule quite well.