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51.
采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态 密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并 有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少,表面原子周围的环境发生变化而引起的.
关键词:
密度泛函理论
2(001)')" href="#">t-HfO2(001)
表面电子结构 相似文献
52.
Jian Shen Huizhong Zeng Zhihong Wang Shengbo Lu Huidong Huang Jingsong Liu 《Applied Surface Science》2006,252(22):8018-8021
Polycrystalline Pb(Zr0.55Ti0.45)O3 thin film was deposited on Pt/Ti/SiO2/Si(1 0 0) by radio-frequency-magnetron sputtering method, and the writing of charge bits on the surface of PZT thin film was studied by Kelvin probe force microscopy. It is found that the surface potential of the negative charge bits are higher than those of the corresponding positive ones. When ferroelectric polarization switching occurs, the potential difference becomes even more remarkable. A qualitative model was proposed to explain the origin of the asymmetric charge writing. It is demonstrated that the internal field in the interface layer, which is near the ferroelectric/electrode interface in ferroelectric film, is likely to be the cause for the occurrence of this phenomenon. 相似文献
53.
The quantum states are presented in these processions of fabricating poly-Si films. Amorphous silicon films prepared by PECVD has been crystallized by conventional furnace annealing (FA) and rapid thermal annealing (RTA), respectively. It is found that the thin films grain size present quantum states with the increasing of the gas flow ratios of SiH4, H2 mixture, substrate temperatures, frequency power, annealing temperature and time. 相似文献
54.
利用室温下压电调制反射光(PzR)谱技术系统测量了N掺杂浓度为0.0%—3%的分子束外延生长GaNxAs1-x薄膜,并对图谱中所观察的光学跃迁进行了指认.在GaN0.005As0.995和GaN0.01As0.99薄膜的PzR谱中观察到此前只在椭圆偏振谱中才看到的N掺杂相关能态E1+Δ1+ΔN.当N掺杂浓度达到
关键词:
压电调制反射光谱(PzR)
xAs1-x薄膜')" href="#">GaNxAs1-x薄膜
分子束外延(MBE) 相似文献
55.
This paper reports that the growth of RuOx(110) thin layer growth on Ru(0001)
has been investigated by means of scanning tunnelling microscope (STM). The STM
images showed a domain structure with three rotational domains of RuOx(110)
rotated by an angle of 120℃.
The as-grown RuOx(110) thin layer is expanded from the bulk-truncated
RuOx(110) due to the large mismatch between RuOx(110) and the
Ru(0001) substrate. The results also indicate that growth of RuOx(110)
thin layer on the Ru(0001) substrate by oxidation tends first to formation
of the Ru-O (oxygen) chains in the [001] direction of RuOx(110). 相似文献
56.
We consider a space-time coded (STC) orthogonal frequency-division multiplexing (OFDM) system with multiple transmitter and receiver antennas over correlated frequency- and time-selective fading channels. It is shown that the product of the time-selectivity order and the frequency-selectivity order is a key parameter to characterize the outage capacity of the correlated fading channel. It is also observed that STCs with large effective lengths and ideal built-in interleavers are more effective in exploiting the natural diversity in multiple-antenna correlated fading channels. We then propose a low-density parity-check (LDPC)-code-based STC-OFDM system. Compared with the conventional space-time trellis code (STTC), the LDPC-based STC can significantly improve the system performance by exploiting both the spatial diversity and the selective-fading diversity in wireless channels. Compared with the previously proposed turbo-code-based STC scheme, LDPC-based STC exhibits lower receiver complexity and more flexible scalability. We also consider receiver design for LDPC-based STC-OFDM systems in unknown fast fading channels and propose a novel turbo receiver employing a maximum a posteriori expectation-maximization (MAP-EM) demodulator and a soft LDPC decoder, which can significantly reduce the error floor in fast fading channels with a modest computational complexity. With such a turbo receiver, the proposed LDPC-based STC-OFDM system is a promising solution to highly efficient data transmission over selective-fading mobile wireless channels 相似文献
57.
58.
FTIR光谱遥测红外药剂的燃烧温度 总被引:2,自引:0,他引:2
本文利用遥感FTIR光谱,对红外药剂的燃烧特性进行了研究。在分辨率为4cm^-1时,收集4700-740cm^-1波段的光谱。从HF等燃烧产物发射的分子振转基带精细结构的谱线强度分布,可以对燃烧温度进行遥感测定,并给出了燃烧温度随时间的变化关系,实验结果表明燃烧表面附近温度梯度很大,存在着急剧的变化温度场,同时也说明,在不干扰火焰温度场的情况下,利用遥感FTIR光谱对剧烈的、非稳态快速燃烧的火焰温度进行连续实时的遥感测量,是一种快速、准确、灵敏度高的测温方法,显示了它在燃烧温度测量、产物浓度测试以及燃烧机理研究等方面的应用前景。 相似文献
59.
本文以一道题为例对研究性教学中的习题环节进行了实例研究.大致按照事件发生的顺序叙述以再现现场情景. 相似文献
60.
A novel technique to overcome the long-term drift and hysteresis of a scanning Fabry–Perot filter was developed and applied to wavelength and power monitoring of DWDM system. By using the comb peaks generated by a temperature-stabilized, near threshold-biased Fabry–Perot diode laser as wavelength reference for the scanning Fabry–Perot filter, wavelength and power measurement accuracy of better than ±10 pm and 0.2 dB, respectively, were achieved. 相似文献