Machine learning method for tight-binding Hamiltonian parameterization from ab-initio band structure

Abstract The tight-binding (TB) method is an ideal candidate for determining electronic and transport properties for a large-scale system. It describes the system as real-space Hamiltonian matrices expressed on a manageable number of parameters, leading to substantially lower computational costs tha...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Zifeng Wang, Shizhuo Ye, Hao Wang, Jin He, Qijun Huang, Sheng Chang
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
Materias:
Acceso en línea:https://doaj.org/article/5828919a2b55495b889aabfc55773a47
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!