First-principles study of Ga7As7 ionic cluster and influence of multi-charge on its structure

This paper investigates the structures and stabilities of neutral Ga7As7 cluster and its ions in detail by using first-principles density functional theory. Many low energy structures of Ga7As7 cluster are found. It confirms that the ground state structure of neutral Ga7As7 cluster is a pentagonal prism with four face atoms like a basket structure, as reported by previous works. The ground state structures of positive Ga7As7 cluster ions are different from that of the neutral cluster. These investigations suggest that Ga atoms occupy the capping positions more easily than As atoms. Mulliken population analyses also show that Ga atoms can lose or obtain charge more easily than As atoms. It finds that the neutral Ga7As7 cluster can become more stable by gaining one or two additional electrons but further more electrons would cause the decrease of binding energy. The ionisation energy increases with the increase of the number of the removed electrons. These calculated results indicate that the net magnetic moment of the neutral Ga7As7 cluster is zero because all electrons are paired together in their respective molecular orbits. But for the ionic Ga7As7 cluster with odd number of electrons, the net magnetic moment is 1.0 μB due to an unpaired electron.     

Solitary Wave Solutions of Triple Sine-Gordon Equation

Through a mapping relation between the triple sine-Gordon and Ф5 model, we discuss the equation in detail. A series of solitary wave solutions for the triple sine-Gordon equation is obtained by the existing ones of the Ф5 model. Some detailed solitary wave solutions are given for some special coefficients which have significance in physics.     

First-principles influence of study of GaTAs7 multi-charge on ionic cluster and its structure

This paper investigates the structures and stabilities of neutral GaTAs7 cluster and its ions in detail by using first-principles density functional theory. Many low energy structures of GaTAs7 cluster are found. It confirms that the ground state structure of neutral GaTAs7 cluster is a pentagonal prism with four face atoms like a basket structure, as reported by previous works. The ground state structures of positive Ga7As7 cluster ions are different from that of the neutral cluster. These investigations suggest that Ga atoms occupy the capping positions more easily than As atoms. Mulliken population analyses also show that Ga atoms can lose or obtain charge more easily than As atoms. It finds that the neutral GaTAs7 cluster can become more stable by gaining one or two additional electrons but further more electrons would cause the decrease of binding energy. The ionisation energy increases with the increase of the number of the removed electrons. These calculated results indicate that the net magnetic moment of the neutral GaTAs7 cluster is zero because all electrons axe paired together in their respective moleculax orbits. But for the ionic GaTAs7 cluster with odd number of electrons, the net magnetic moment is 1.0 μB due to an unpaired electron.     

大学物理课程及其数字化教学创新优化的研究与实践

总结近年来在大擘物理课程及其数字化教学创新优化方面的改革经验：创建大学物理现代化概念结构体系,实现现代教育技术与传统教学手段的优化配合,实施“自学、演示、讲练、讨论、总结”融于一体的教学方法。探索教学科研互动模式。介绍该研究应用于教学的实践效果，展望该研究广阔的应用前景。     

砷化镓离子团簇的稳定性研究

采用全势能线性糕模轨道分子动力学方法，详细研究了砷化镓离子团簇Ga_nAs_n(n=4，5，6)的几何结构和稳定性.分别找到了这些离子团簇的最低能量结构，通过计算发现这些结构明显不同于中性团簇的基态结构.还发现离子团簇的其他稳定结构与对应的中性结构相比也有较大的结构畸变.在这些砷化镓离子团簇中，相对于砷原子而言，镓原子更容易处在帽原子的位置上. 关键词： 离子团簇 基态结构 稳定性