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Phase stability and Raman vibration of the molybdenum ditelluride (MoTe2) monolayer

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Title
Phase stability and Raman vibration of the molybdenum ditelluride (MoTe2) monolayer
Author(s)
Min Kan; Honggi Nam; Young Hee Lee; Sun, Q
Publication Date
2015-06
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.22, pp.14866 - 14871
Publisher
ROYAL SOC CHEMISTRY
Abstract
The phase stability and phase transition of transition metal dichalcogenide (TMD) monolayer materials have attracted tremendous attention due to their attractive diverse potential applications. Here, firstprinciples calculations based on density-functional theory are carried out to study the newly synthesized MoTe2 monolayer. A phase different from the semiconducting trigonal prismatic structure and octahedral coordinated structure is found to be stable at room temperature in a free standing state, as evidenced by phonon spectrum analysis and molecular dynamic simulation. Raman vibrations of all the possible phases are calculated to provide additional information for the distinction of different phases in the experiment
URI
https://pr.ibs.re.kr/handle/8788114/1797
DOI
10.1039/c5cp01649e
ISSN
1463-9076
Appears in Collections:
Center for Integrated Nanostructure Physics(나노구조물리 연구단) > 1. Journal Papers (저널논문)
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