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作品数:5 被引量:19H指数:1
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5 条 记 录,以下是 1-8
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第一性原理计算XHfO_3(X=Ba,Sr)的结构、弹性和电子特性被引量:19
2007年
采用基于密度泛函理论的第一性原理计算方法研究了钙钛矿结构的BaHfO3和SrHfO3的基态性质,包括优化后的晶格常数、弹性常数、体弹性模量、剪切模量、态密度、能带结构和电荷密度.计算结果表明BaHfO3和SrHfO3具有比较大的体弹性模量,它们都是间接带隙的半导体材料,Ba或Sr原子与HfO3基团之间形成的化学键主要是离子键,而Hf原子与O原子之间形成的主要是共价键.
宇霄罗晓光陈贵锋沈俊李养贤
关键词:第一性原理钙钛矿结构价键
Infrared studies of oxygen-related complexes in electron-irradiated Cz-Si
2009年
This paper investigates the infrared absorption spectra of oxygen-related complexes in silicon crystals irradiated with electron(1.5MeV) at 360 K.Two groups of samples with low [Oi]=6.9×1017cm 3 and high [Oi]=1.06×1018cm3 were used.We found that the concentration of the VO pairs have different behaviour to the annealing temperature in different concentration of oxygen specimen,it is hardly changed in the higher concentration of oxygen specimen.It was also found that the concentration of VO 2 in lower concentration of oxygen specimen gets to maximum at 450 ℃ and then dissapears at500 ℃,accompanied with the appearing of VO 3.For both kinds of specimens,the concentration of VO 3 reachs to maximum at 550 ℃ and does not disappear completely at 600 ℃.
陈贵锋阎文博陈洪建崔会英李养贤
关键词:红外吸收光谱直拉硅硅晶体
快速热处理辐照掺氮直拉单晶硅中氧沉淀的红外吸收谱研究
研究了快速热处理(RTP)对快中子辐照掺氮直拉硅中氧沉淀的作用,对不同辐照剂量的样品先进行的不同温度和降温速率的RTP,再将其与没有经历RTP的样品放入单管扩散炉中进行1 100℃高温20 h 一步退火,保护气氛为氩气。...
陈贵锋刘丽丽李养贤李兴华蔡莉莉宋守丽李永章陈东风
关键词:红外吸收中子辐照氧沉淀
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快中子辐照直拉硅的退火机制
文章用FTIR和金相显微镜研究了快中子辐照对直拉硅氧化诱生缺陷的影响。快中子辐照直拉硅经两步退火后体内产生了大量氧沉淀诱生体层错、位错以及位错环。在500~700℃低温预退火过程中,辐照缺陷的变化直接影响到后续高温退火后...
李兴华李养贤陈贵锋刘丽丽蔡莉莉杨帅李洪涛
关键词:快中子辐照辐照缺陷空位
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The effects of fast neutron irradiation on oxygen in Czochralski silicon
2009年
The effects of fast neutron irradiation on oxygen atoms in Czochralski silicon(CZ-Si) are investigated systemically by using Fourier transform infrared(FTIR) spectrometer and positron annihilation technique(PAT).Through isochronal annealing,it is found that the trend of variation in interstitial oxygen concentration([Oi]) in fast neutrons irradiated CZ-Si fluctuates largely with temperature increasing,especially between 500 and 700 C.After the CZ-Si is annealed at 600 C,the V4 appearing as three-dimensional vacancy clusters causes the formation of the molecule-like oxygen clusters,and more importantly these dimers with small binding energies(0.1-1.0eV) can diffuse into the Si lattices more easily than single oxygen atoms,thereby leading to the strong oxygen agglomerations.When the CZ-Si is annealed at temperature increasing up to 700 C,three-dimensional vacancy clusters disappear and the oxygen agglomerations decompose into single oxygen atoms(O) at interstitial sites.Results from FTIR spectrometer and PAT provide an insight into the nature of the [Oi] at temperatures between 500 and 700 C.It turns out that the large fluctuation of [Oi] after short-time annealing from 500 to 700 C results from the transformation of fast neutron irradiation defects.
陈贵锋阎文博陈洪建李兴华李养贤
关键词:高能物理学
电子辐照直拉硅中空位型缺陷的红外光谱研究
用傅立叶变换红外光谱仪(FTIR)研究了不同剂量电子辐照直拉硅(CZ-Si)中辐照缺陷在不同温度热处理后的行为,实验发现随辐照剂量的增加未退火样品的间隙氧含量下降,FTIR谱表明电子辐照后主要的辐照缺陷为VO(830cm...
蔡莉莉李养贤陈贵锋李兴华郝建刚张昱
关键词:电子辐照辐照缺陷VOFTIR
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Influence of rapid thermal process on intrinsic gettering in fast neutron irradiated Czochralski silicon
2006年
A rapid thermal process (RTP) was first introduced into the intrinsic gettering (IG) processes of fast neutron irradiated Czochralski (CZ) silicon. The effect of RTP conditions on bulk microdefects (BMDs) and denuded zone (DZ) was investigated. Fourier transform infrared absorption spectrometer (FTIR) was used to measure the concentration of interstitial oxygen ([Oi]). Bulk microdefects were observed by optical microscope. The results show that, according to the variation of [Oi], it is found that RTP doesn’t change the processes of oxygen precipitation in fast neutron irradiated Czochralski silicon. Perfect denuded zone, dense oxygen precipitates and defects form in the bulk of irradiated samples. With increasing temperature of RTP, the width of denuded zone decreases. Increasing RTP cooling rate, the density of Bulk microdefects increases. DZ forms in the sample that annealed in nitrogen atmosphere.
陈贵锋李养贤李兴华蔡莉莉马巧云牛萍娟牛胜利陈东风
关键词:FTIR硅单晶
Annealing behaviors of vacancy in varied neutron irradiated Czochralski silicon
2006年
The difference of annealing behaviors of vacancy-oxygen complex (VO) in varied dose neutron irradiated Czochralski silicon: (S1 5×1017 n/cm3 and S2 1.07×1019 n/cm3) were studied. The results show that the VO is one of the main defects formed in neutron irradiated Czochralski silicon (CZ-Si). In this defect, oxygen atom shares a vacancy, it is bonded to two silicon neighbors. Annealed at 200 ℃, divacancies are trapped by interstitial oxygen(Oi) to form V2O (840 cm-1). With the decrease of the 829 cm-1 (VO) three infrared absorption bands at 825 cm-1 (V2O2), 834 cm-1 (V2O3) and 840 cm-1 (V2O) will rise after annealed at temperature range of 200-500 ℃. After annealed at 450-500 ℃ the main absorption bands in S1 sample are 834 cm-1, 825 cm-1 and 889 cm-1 (VO2), in S2 is 825 cm-1. Annealing of A-center in varied neutron irradiated CZ-Si is suggested to consist of two processes. The first is due to trapping of VO by Oi in low dose neutron irradiated CZ-Si (S1) and the second is due to capture the wandering vacancy by VO, etc, in high dose neutron irradiated CZ-Si (S2), the VO2 plays an important role in the annealing of A-center. With the increase of the irradiation dose, the annealing behavior of A-center is changed.
陈贵锋李养贤刘丽丽牛萍娟牛胜利陈东风
关键词:FTIR退火行为空穴
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