Expanding a band

Any pure operator band can be expanded so that each component of the band is reflexive.

     

Selective Excitation of Band Extrema in Valley Photonic Crystals

Flexible control of building blocks of photonic crystals enables achieving desirable band structures. Exploration of photonic band extrema has brought many fantastic features to design artificial optical materials, such as Brillouin‐zone‐corner extrema for valley photonic materials and zone‐center extremum for zero‐index metamaterials. However, two such kinds of extrema are always found independently in different photonic crystals. In this work, a kind of valley photonic crystals possessing both zone‐center and zone‐corner band extrema almost at the same frequency is proposed. Inspired by antennas theory, a three‐antenna array (TAA) source is devoted to individually manipulate each extremum. The correlation coefficient is given to determine the coupling efficiency between the TAA source and extrema eigenmodes. By using a source with a high correlation coefficient, these extrema bulk states are selectively excited consistent with their eigenfields. Furthermore, three control cases are shown that multiple extrema points are simultaneously excited, in order to confirm the validity of the correlation coefficient. Finally, a potential application of a beam‐steering device is proposed through selective excitation of ternary extrema. This work develops binary valley states into ternary mix states, rendering more degrees of freedom for on‐chip optical information transport, particularly for beam steering and mode division multiplexing.     

梨花粉红外波段复折射率测定与分析

花粉是生物气溶胶重要的组成部分,复折射率是研究花粉光学特性以及探测、识别生物气溶胶成分的重要参数。采用压片法对梨花粉2.5~15 μm波段的反射光谱进行了测量,利用Krames-Kronig(K-K)关系计算了复折射率,并就傅里叶红外光谱仪测试压片的入射角和复折射率长波长、短波长区外推两方面对结果作了误差分析。结果表明,测试时18°入射角以及长波长、短波长区外推对梨花粉复折射率的计算结果影响不大,利用反射光谱计算花粉复折射率的方法是可行的。计算得到的复折射率谱对梨花粉光学特性的研究以及生物气溶胶成分的探测、识别有一定的参考价值。     

石墨烯能带中的重叠矩阵效应:Tight-Binding方法在模拟中的研究

采用紧束缚方法计算了石墨烯的价带(π)和导带(π*),考虑了非正交基矢下重叠矩阵效应,重叠积分参量s越小,导带越靠近费米面,而价带越远离费米面.在重叠积分参量s≤0.1时,基本保持了原子在实际空间中重叠所引起的能带的改变,太大(s=0.4)则会导致物理上失效.计算了石墨烯的能态密度,在费米面ε=0处(对应Dirac点)的能态密度为零,并且在Dirac点附近呈线性变化.     

高压下锐钛矿TiO2的电阻率及能带结构的研究

应用在位电阻率测量方法研究高压下锐钛矿TiO2的电学性质. 通过研究电阻率随压力变化的异常变化点, 观察到了TiO2从锐钛矿-柯铁矿-斜锆石的相变. 卸压后,电阻率和初始值相差2个数量级, 说明该相变为不可逆相变. 结合第一性原理计算结果表明, 柯铁矿结构更小的带隙是导致TiO2电阻率减小的根本原因.     

Photoemission study of the carrier bands in Bi(111)

We present high-resolution photoemission data from the Bi(111)-surface. The electronic structure of the semimetal close to the Fermi level has been found to change dramatically with respect to the well established bulk band structure. The Fermi surfaces observed for the electron and hole bands resemble those of the next group-V element, antimony, probably as a consequence of surface relaxation. This results in a relatively high surface charge density. The observed temperature dependence of the electron Fermi energy confirms this result. Received 8 June 2000     

Spin density distribution of the conduction electrons in diperylene hexafluorophosphate analysed by high-resolution NMR

High-resolution ¹³C nuclear magnetic resonance with ¹H cross polarization and ¹H decoupling under magic angle spinning is measured for the quasi-one dimensional organic conductor diperylene hexafluorophosphate (including tetrahydrofurane solvent molecules) at temperatures between 160 K and 270 K. Ab initio molecular orbital calculations are used for chemical shift analysis and for assignment of Knight shifted lines and individual carbon positions. The coexistence of neutral perylene molecules and perylene radicals in the same radical cation salt is revealed. From Knight and chemical shifts we were able to distinguish two inequivalent perylene radicals within the conducting stack. The spin density distribution of the molecular electronic wave function is determined quantitatively for these radicals. Received 29 June 1999 and Received in final form 4 November 1999     

193T1超形变带K=1/2的可能性

分析了脱耦合项对于原子核转动惯量的重要影响.总结了奇质量核K=1/2带转动惯量变化规律的新特点.在此基础上讨论了¹⁹³T1中3条新的超形变带的内部结构.目前尚无足够证据能够确认它们都是K=1/2带.     

GaN/AlN半导体异质结带阶超原胞法计算

为了对GaN/AlN异质结电子结构有更为深入的认识,采用超原胞模型,对其进行了基于密度泛函理论的第一性原理计算.结果发现GaN/AlN为突变同型异质结,价带顶带阶为0.62eV,与实验值很接近.通过使用常用的平均键能法、平均势法和芯态法三种近似方法对GaN/AlN带阶的计算,比较得出,超原胞法虽然计算量较大,但能够给出异质结界面附近更为详细的信息,这一点其他三种近似方法无法得到,但他们也能够得出与实验值基本一致的带阶参量.     

基于GaAs/AlxGa1-xAs多量子阱光子晶体的窄带滤波器

讨论了利用GaAs/AlxGa1-xAs多量子阱构成的一维光子晶体实现窄带滤波的原理.研究了外加电场下GaAs/AlxGa1-xAs多量子阱的激子吸收所导致的反常色散行为.研究发现,在反常色散材料的共振频率附近,存在一个较强色散且吸收很小的区域,该区域内的色散可以在PCs的带隙中产生一个窄的通频带,其对应的最大透过率约为0.73,全固态滤光器的带宽约为4.9 nm,并可利用外加电场进行调谐,这将为设计一种全新的固态滤波器提供指导.