在III组化物中的化学结合
Aurora Costales1, Miguel A Blanco, Angel Martín Pendás
1Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006-Oviedo, Spain.
Journal of the American Chemical Society
|April 11, 2002
概括
随着协调的增加,III组化物 (AlN,GaN,InN) 的化学结合从N-N转移到M-N结合. 由于电荷转移,这种过渡削弱了N-N键,影响了半导体设备的特性.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 计算材料科学科学 计算材料科学
背景情况:
- 第三组化物 (AlN,GaN,InN) 是重要的半导体,在电子和光电子领域有应用.
- 了解它们的化学结合演变是预测材料特性和设备性能的关键.
- 从小集群转变为大批量晶体的转变涉及到结合性质的显著变化.
研究的目的:
- 分析III组化物中化学结合的演变,从集群到晶体.
- 为了解释N-N键的不稳定与增加金属协调.
- 为了将粘合特性与电荷转移相关联,并预测材料的行为.
主要方法:
- 在Al,Ga和In化物和晶体中的化学结合的理论分析.
- 从金属 (M) 到 (N) 原子的电荷转移的研究.
- N-N 键强度与金属协调和M-N 键距离的相关性.
主要成果:
- 第三组化物中的结合在集群和晶体中是部分离子的.
- 由于电荷转移,随着金属协调的增加,共价N-N键强度会降低.
- 与Ga和In集群相比,Al集群表现出更多的离子特性和较弱的N-N键.
- 原子的电荷与金属的协调成比例,并取决于M-N距离.
结论:
- 观察到的结合演变解释了在III组化物中之前的实验发现.
- 该研究提供了关于预测化物基半导体设备结构和缺陷的见解.
- 了解电荷转移和协调效应对于设计先进的化物材料至关重要.
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