Si_xN~±_y团簇离子的形成和稳定性研究

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结合DV-Xα方法的理论计算结果,对激光蒸发方法产生的SixN团簇离子的形成和稳定性进行了细致的研究。发现上述四簇离子可能以SiN3或SiN4作为初始单元,较大的团簇离子可由某种单元与另一质谱上较稳定的复合分子组成。质谱强度变化的规律表明:若团簇离子质量是Si原子量的倍数时,呈现极大值,此时,团簇离子包含偶数个N原子。其奇偶性是由初始单元强度差异引起的。 Combined with the theoretical calculation results of DV-Xα method, the formation and the stability of SixN cluster ions generated by the laser evaporation method are studied in detail. It is found that the above four cluster ions may take SiN3 or SiN4 as the initial unit, and the larger cluster ions may be composed of one unit and another stable complex molecule on the mass spectrum. The regularity of the intensity change of the mass spectrum shows that if the mass of a cluster ion is a multiple of the Si atomic weight, the maximum value appears, and in this case, the cluster ion contains an even number of N atoms. Its parity is caused by the difference in initial cell strength.
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