掺稀土元素(Y,La)的γ-Si3N4的电子结构和光学性质

采用基于密度泛函的平面赝势方法(PWP)和广义梯度近似(GGA),计算了未掺杂和掺杂稀土(Y,La)的γ-Si3N4中N-Y(La)键的布居值和它们的键长、掺杂后能带结构和态密度.发现掺杂后的带隙要减小,并且可能形成新的半导体,这将为找到新的半导体提供一个方向.还进一步研究了掺杂稀土(Y,La)后的光学性质,掺杂后有更高的静态介电常数,可以作为新的介电材料和好的折射材料,这对于一定的光学元件有潜在的应用前景.     

二维Mo2C的晶格热导率的第一性原理研究

Mo2C是构建Mxene基器件的重要材料之一,对Mo2C二维材料声子输运的理解非常必要。文章结合第一性原理方法和声子玻尔兹曼输运方程,研究了二维Mo2C材料的晶格热导率。研究表明,室温下二维Mo2C导热系数非常低,其锯齿方向和扶手椅方向的晶格热导率分别为7.20 和 5.04 W/mK。计算了声学振动和光学振动模式对晶格热导率的贡献,揭示总热导率主要由面内声学横波的振动模式所贡献。还进一步计算了声子群速度、声子弛豫时间、三声子散射空间和模式格林艾森参数,发现二维Mo2C中的声子群速度和声子弛豫时间对晶格传输有重要的影响。     

Effects of Single Vacancy on Electronic and Optical Properties for γ-Si3N4

基于密度泛函理论的广义梯度近似方法研究了中性单点缺陷γ-Si₃N₄的能量、电子结构和光学性质. N缺陷的结合能和形成能比Si(8)和Si(4)位的都低,显示γ-Si₃N₄中N缺陷更易形成. 分析了各种缺陷情况下相应的态密度. Si缺陷能形成p型半导体,N缺陷使材料形成间接带隙的n型半导体. Si缺陷情况下,物质有相对大的静态介电常数,在可见光区和红外区,吸收和反射得到显著改善,但是N缺陷却没什么影响.     

Superpixel-Based Complex Field Modulation Using a Digital Micromirror Device for Focusing Light through Scattering Media

We present a digital micromirror device(DMD) based superpixel method for focusing light through scattering media by modulating the complex field of incident light. Firstly, we numerically and experimentally investigate focusing light through a scattering sample using the superpixel methods with different target complex fields.Then, single-point and multiple-point focusing experiments are performed using this superpixel-based complex modulation method. In our experiment, up to 71.5% relative enhancement is realized. The use of the DMDbased superpixel method for the control of the complex field of incident light opens an avenue to improve the enhancement of focusing light through scattering media.     

Performance analysis of surface plasmon resonance sensor with high-order absentee layer

A surface plasmon resonance(SPR) sensor with a high-order absentee layer on the top of metallic film is proposed.The performance of the SPR sensor with NaCl, MgO, TiO_2 or AlAs high-order absentee layer is analyzed theoretically. The results indicate that the sensitivity and the full width at half maximum of those SPR sensors decrease with the increasing of the order of absentee layer, but the variation of the figure of merit(FOM) depends on the refractive index of absentee layer.By improving the order of absentee layer with high-refractive-index, the FOM of the SPR sensor can be enhanced. The maximum value of FOM for the SPR sensor with high-order TiO_2(or AlAs) absentee layer is 1.059%(or 2.587%) higher than the one with one-order absentee layer. It is believed the proposed SPR sensor with high-order absentee layer will be helpful for developing the high-performance SPR sensors.     

时间序列编码放大显微系统的成像方法研究

提出一种新的用于时间序列编码放大显微系统的成像方法，主要解决了非平带光谱激光源和放大过程的非平带增益问题，避免了脉冲边沿低水平振幅的浪费。使用通信波段1550 nm波长锁模脉冲激光源，以线扫描方式对USAF-1951分辨率板第一组别刻痕实现了清晰超快成像，有效地验证光学拉伸技术中的时间-空间-频率的一一映射特性和色散傅里叶变换中的放大过程，反映了该系统其在m尺度、MHz帧率成像领域的潜力。     

一种超硬新材料BeP2N4的电子结构和力学性质及本征硬度

基于密度泛函理论,采用局域密度近似(LDA)和广义梯度近似(GGA)泛函研究了硅铍石、尖晶石结构的 BeP₂N₄ 材料的晶格参数、能带结构、态密度、分态密度、Mulliken布居值和弹性性质, 计算结果与已有的实验值和理论值符合很好. 能带结构和态密度表明两种结构的BeP₂N₄材料是宽的直接带隙的绝缘体材料. 尖晶石结构BeP₂N₄的体弹性模量、剪切模量和弹性模量比硅铍石结构的相应的力学量大得多. 利用Sung等提出的硬度经验判据和Gao等提出的基于Mulliken轨道重叠布居数的共价固体本征硬度计算方法, 预测了两种结构的本征硬度值. 计算结果表明硅铍石结构BeP₂N₄虽然体弹模量小, 但是它并不是一种软的材料, 而是一种易脆的硬度较硬的材料, 随着压力增加硅铍石结构BeP₂N₄的脆性逐渐过渡到延性. 尖晶石结构BeP₂N₄是一种易脆的超硬材料. 采用GGA计算得到的硅铍石BeP₂N₄向尖晶石相转变压力为14 GPa, 与理论预测值(24 GPa)相比偏小.     

Rapid measurement of transmission matrix with the sequential semi-definite programming method

This paper puts forward for the first time a combined transmission matrix(TM) method to measure the monochromatic TM of scattering media without a reference beam. This method can be named a sequential semi-definite programming method which combines the sequential algorithm and the semi-definite programming method. Firstly, each part of the TM is calculated respectively in proper sequence. Then every part of TM is combined to form a complete TM in accordance with a certain rule. The phase modulation of the incident light is achieved by using a high speed digital mirror device with the superpixel method. We have experimentally demonstrated that the incident light field is focused at the target through scattering media using the measured TM to optimize the wavefront of the incident light. Compared with the semidefinite programming method, our method takes less computational time and occupies less memory space. The sequential semi-definite programming method shows potential applications in imaging through biological tissues.     

High-contrast imaging based on wavefront shaping to improve low signal-to-noise ratio photoacoustic signals using superpixel method

Photoacoustic(PA) imaging has drawn tremendous research interest for various applications in biomedicine and experienced exponential growth over the past decade. Since the scattering effect of biological tissue on ultrasound is two-to three-orders magnitude weaker than that of light, photoacoustic imaging can effectively improve the imaging depth.However, as the depth of imaging further increases, the incident light is seriously affected by scattering that the generated photoacoustic signal is very weak and the signal-to-noise ratio(SNR) is quite low. Low SNR signals can reduce imaging quality and even cause imaging failure. In this paper, we proposed a new wavefront shaping and imaging method of low SNR photoacoustic signal using digital micromirror device(DMD) based superpixel method. We combined the superpixel method with DMD to modulate the phase and amplitude of the incident light, and the genetic algorithm(GA) was used as the wavefront shaping algorithm. The enhancement of the photoacoustic signal reached 10.46. Then we performed scanning imaging by moving the absorber with the translation stage. A clear image with contrast of 8.57 was obtained while imaging with original photoacoustic signals could not be achieved. The proposed method opens new perspectives for imaging with weak photoacoustic signals.     

Mo2C二维材料晶格热导率的第一性原理研究

Mo₂C是构建Mxene基器件的重要材料之一,对Mo₂C二维材料声子输运的理解非常必要.文章结合第一性原理方法和声子玻尔兹曼输运方程,研究了二维Mo₂C材料的晶格热导率.研究表明,室温下二维Mo₂C导热系数非常低,其锯齿方向和扶手椅方向的晶格热导率分别为7.20和5.04 W/mK.计算了声学振动和光学振动模式对晶格热导率的贡献,揭示总热导率主要由面内声学横波的振动模式所贡献.还进一步计算了声子群速度、声子弛豫时间、三声子散射空间和模式格林艾森参数,发现二维Mo₂C中的声子群速度和声子弛豫时间对晶格传输有重要的影响.