Structures and localized vibrational states of defects in graphite by tight-binding calculations

Autor:	Rong Cheng, Wen-Cai Lu, K. M. Ho, C. Z. Wang
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:22057-22066
ISSN:	1463-9084 1463-9076
Popis:	The structural and vibrational properties of pristine graphite and point defects in graphite are studied by tight-binding (TB) calculations using a three-center TB potential model. We showed that the three-center TB potential without "
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6fdd2e583cb2737636e92e4d15ca548 https://doi.org/10.1039/d2cp03165e Zobrazit plný text záznamu