为探究四元Heusler合金Cr2MnAs材料性质,预测其用途,采用基于密度泛函理论(DEF)的第一性原理对Cr2MnAs进行理论研究。使用Materials Studio 6.0对合金进行建模和优化,通过低精度的计算结果比较,确定Cr2MnAs在原子自旋设为:Cr1原子向上,C...为探究四元Heusler合金Cr2MnAs材料性质,预测其用途,采用基于密度泛函理论(DEF)的第一性原理对Cr2MnAs进行理论研究。使用Materials Studio 6.0对合金进行建模和优化,通过低精度的计算结果比较,确定Cr2MnAs在原子自旋设为:Cr1原子向上,Cr2,Mn原子向下,此时具有最低能量即最稳态。此态下得到最优化晶格常数为5.820?,并在此基础上计算材料磁性性质,分析发现材料的能带结构和态密度图均具有半金属性的特征,分析磁矩得出Cr2MnAs具有反铁磁性的结论。展开更多
A new complementary metal oxide semiconductor UV/blue-extended photodiode was presented for light detection in the UV/blue spectral range. Photoelectric characteristics of this presented photodiode were studied by num...A new complementary metal oxide semiconductor UV/blue-extended photodiode was presented for light detection in the UV/blue spectral range. Photoelectric characteristics of this presented photodiode were studied by numerical modeling and device simulation. Technology computer aided design simulation was done first to analyze its photoelectric characteristics. The structure characteristic and depletion situation of space between two adjacent P+ anodes were discussed. The reverse characteristic, spectral response characteristic and DC characteristic were discussed in detail. For the numerical modeling, dead layer effect is considered in the building of analytical mode. Dead layer is a space in which the boron doping profile decreases towards the surface due to high doping effects and boron redistribution, which affects the sensitivity of photodiode in the UV range seriously. Reverse characteristics and spectral response characteristics were modeled and analyzed typically. At last, silicon test results were given and compared with the simulated result, which shows reasonable match for each.展开更多
文摘为探究四元Heusler合金Cr2MnAs材料性质,预测其用途,采用基于密度泛函理论(DEF)的第一性原理对Cr2MnAs进行理论研究。使用Materials Studio 6.0对合金进行建模和优化,通过低精度的计算结果比较,确定Cr2MnAs在原子自旋设为:Cr1原子向上,Cr2,Mn原子向下,此时具有最低能量即最稳态。此态下得到最优化晶格常数为5.820?,并在此基础上计算材料磁性性质,分析发现材料的能带结构和态密度图均具有半金属性的特征,分析磁矩得出Cr2MnAs具有反铁磁性的结论。
基金Projects(61233010,61274043)supported by the National Natural Science Foundation of ChinaProject(NCET-11-0975)supported by the Program for New Century Excellent Talents in University,China
文摘A new complementary metal oxide semiconductor UV/blue-extended photodiode was presented for light detection in the UV/blue spectral range. Photoelectric characteristics of this presented photodiode were studied by numerical modeling and device simulation. Technology computer aided design simulation was done first to analyze its photoelectric characteristics. The structure characteristic and depletion situation of space between two adjacent P+ anodes were discussed. The reverse characteristic, spectral response characteristic and DC characteristic were discussed in detail. For the numerical modeling, dead layer effect is considered in the building of analytical mode. Dead layer is a space in which the boron doping profile decreases towards the surface due to high doping effects and boron redistribution, which affects the sensitivity of photodiode in the UV range seriously. Reverse characteristics and spectral response characteristics were modeled and analyzed typically. At last, silicon test results were given and compared with the simulated result, which shows reasonable match for each.
