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991.
992.
采用基于密度泛函理论(DFT)的第一性原理平面波赝势方法,结合广义梯度近似(GGA)下的RPBE和局域密度近似(LDA)的CA-PZ交换-关联泛函对闪锌矿结构的GaN在高压的性质进行了系统研究. 计算结果表明:弹性常数、体模量、杨氏模量和能隙都具有明显的外压力效应,计算结果与实验值和理论值很好的符合. 同时利用计算的能带结构和态密度系统分析了GaN的介电函数、折射率、反射率、吸收系数和能量损失函数等光学性质及其外压力效应. 分析结果为GaN的设计与应用提供了理论依据.
关键词:
第一性原理计算
电子结构
光学性质
闪锌矿GaN 相似文献
993.
994.
化学计量学方法在三维荧光光谱分析中的应用 总被引:1,自引:0,他引:1
随着分析数据日益复杂,传统的用于光谱分析中的数据处理方法已不能满足分析需要,而化学计量学应用数学、统计学以及计算机等科学的方法与手段,设计和选择最优的量测方法,并通过对数据的解析,可最大限度的获取光谱数据中的有用信息.本文首先介绍了几类常用化学计量学方法分析的三维荧光光谱,其次介绍了常用于光谱分析的化学计量学方法,如统... 相似文献
995.
复分散系相函数在辐射介质传热中是关键参数,蒙特卡洛法兼具数值算法与试验测量的优点.利用该方法计算复分散系的多重散射相函数克服了以往算法的缺点,可以体现多重散射的影响,并且可以计算任意形状控制体的相函数.大量的数学实验发现当介质系密度增大时,散射能量在4π空间内分布趋于均匀. 相似文献
996.
An investigation of thermal effects in a high-power Nd:YAG disk-type solid state laser pumped with different pump beam transverse profiles is carried out by numerical simulation based on the finite element method (FEM). Impact of the heat sink on the thermal effects is included in the simulation. The distribution of first principle stress, thermally induced birefringence, including the distribution and variation of the birefringence loss, are studied. The characteristics of the phase variation are analyzed with consideration of the temperature gradient, deformation, strain and thermal stress. Thermal lensing is explored as a function of pump power and of the radius pumped with different pump beam transverse profiles. The non-parabolic part of optical phase distortion is simulated. Furthermore, the characteristics of the bi-focus of the disk laser are also studied. Experiments on the maximum tensile stress distribution and depolarization loss are carried out. The presented calculations are in qualitative agreement with the experimental observations. 相似文献
997.
Binfeng Yun 《Optics Communications》2011,284(1):485-489
A compact nanometric surface plasmon polariton Fabry-Perot filter based on three metal-insulator-metal (MIM) waveguides is proposed and studied. The characteristics of this SPP band pass filter are analyzed by the finite difference time domain method and the Fabry-Perot resonance model. The results show that the resonance wavelengths of the pass bands can be linearly changed by the resonant cavity length, and the transmission ratios of the pass bands can be varied by altering the gaps between the MIM waveguides. The metal loss and dispersion effects on the SPP filter's spectra are considered as well. This kind of simple filter is very promising for high density SPP waveguide integrations. 相似文献
998.
Ying-Fei Zhang Zhi-Hui Kang Yun Jiang Yury M. Andreev Konstantin A. Kokh Anna V. Shaiduko 《Optics Communications》2011,284(6):1677-1681
We report a systematic study of AgGaS2- and Al-doped GaSe crystals in comparison with pure GaSe and S-doped GaSe crystals. AgGaS2-doped GaSe (GaSe:AgGaS2) crystal was grown by Bridgman technique from the melt of GaSe:AgGaS2 (10.6 wt.%). Its real composition was identified as GaSe:S (2 wt.%). Al-doped GaSe (GaSe:Al) crystals were grown from the melt of GaSe and 0.01, 0.05, 0.1, 0.5, 1, 2 mass % of aluminium. Al content in the grown crystals is too small to be measured. The hardness of GaSe:S (2 wt.%) crystal grown from the melt of GaSe:AgGaS2 is 25% higher than that of GaSe:S (2 wt.%) crystal grown by a conventional S-doping technique and 1.5- to 1.9-times higher than that of pure GaSe. GaSe:Al crystals are characterized by 2.5- to 3-times higher hardness than that of pure GaSe and by extremely low conductivity of ≤ 10− 7 Om− 1 cm− 1. A comparative experiment on SHG in AgGaS2-, Al-, S-doped GaSe and pure GaSe is carried out under the pumps of 2.12-2.9 μm fs OPA and 9.2−10.8 μm ns CO2 laser. It was found that GaSe:S crystals possess the best physical properties for mid-IR applications among these doped GaSe crystals. GaSe:Al crystals have relatively low conductivity which have strong potential for THz application. 相似文献
999.
The process of penetration of a projectile into a semi-infinitetarget is studied in this paper. Using certain assumptions,
the propagation of plastic wave in the target is analyzed and the pressure on the surface of penetrator is given. The results
calculated from the formulas of this paper agree well with experimental data and numerical results. 相似文献
1000.
云天铨 《应用数学和力学(英文版)》1985,6(1):53-59
According to a lemma and an assumption, this paper prexenis formulae of force at a point in the interior of a half space with Poisson’s ratio v = constant and shear modulus G linearly varied with depth. These formulae can be used as an approximate basic solution when the integral equation method is employed for the analysis of piles and other geotechnical engineering problems. 相似文献