Erratum: Environment-dependent tight-binding potential model
Erratum: Environment-dependent tight-binding potential model
复制标题
勘误表：环境依赖性紧束缚势模型
DOI：
10.1103/physrevb.54.10982
复制
发表时间：
1996
期刊：
影响因子：
--
通讯作者：
Ho
中科院分区：
文献类型：
--
作者：
Tang;Wang;Chan;Ho
我们提出了一个紧束缚模型，它超越了传统的双中心近似，并允许跳跃参数和排斥能依赖于结合环境。以碳为例，我们表明，该方法显着提高了紧束缚模型的可移植性。除了较低配位的共价结构的性质外，该模型还很好地描述了较高配位的金属结构的性质。© 1996美国物理学会。
We present a tight-binding model which goes beyond the traditional two-center approximation and allows the hopping parameters and the repulsive energy to be dependent on the binding environment. Using carbon as an example, we show that the approach improves remarkably the transferability of the tight-binding model. The properties of the higher-coordinated metallic structures are well described by the model in addition to those of the lower-coordinated covalent structures.© 1996 The American Physical Society.