Detailed Information

Cited 1 time in webofscience Cited 1 time in scopus
Metadata Downloads

Identifying the Origin of Defect-Induced Raman Mode in WS2 Monolayers via Density Functional Perturbation Theory

Authors
Yoo, JaekakYang, KihyukCho, Byeong WookKim, Ki KangLim, Seong ChuLee, Seung MiJeong, Mun Seok
Issue Date
Mar-2022
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY C, v.126, no.8, pp.4182 - 4187
Indexed
SCIE
SCOPUS
Journal Title
JOURNAL OF PHYSICAL CHEMISTRY C
Volume
126
Number
8
Start Page
4182
End Page
4187
URI
https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/139316
DOI
10.1021/acs.jpcc.1c10258
ISSN
1932-7447
Abstract
Transition metal dichalcogenides (TMDs) are being actively studied in next-generation semiconductor applications owing to their excellent optoelectronic properties. Therefore, numerous defect-related studies have been conducted to improve TMD quality. In the study of defects, Raman spectroscopy is widely used to obtain information regarding the defects on a surface. A single sulfur-vacancy-induced Raman peak was recently reported. However, the origin of this vibrational mode has not yet been identified. Therefore, quantum mechanical calculations were performed on the sulfur-vacancy-containing supercell structure to elucidate the origin. By calculating the band structure and phonon dispersion, the phonon momentum was obtained, considering the possible scattering of electrons. After comparing the phonon momentum and phonon dispersion, it was identified that the phonon vibrational origin of a single sulfur-vacancy-induced Raman peak is A′1(k).
Files in This Item
Go to Link
Appears in
Collections
서울 자연과학대학 > 서울 물리학과 > 1. Journal Articles

qrcode

Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.

Related Researcher

Researcher Jeong, Mun Seok photo

Jeong, Mun Seok
COLLEGE OF NATURAL SCIENCES (DEPARTMENT OF PHYSICS)
Read more

Altmetrics

Total Views & Downloads

BROWSE