Optical Phonon Modes and Localized Effective Charges of Transition-Metal Dichalcogenides

1978 ◽  
Vol 45 (1) ◽  
pp. 153-161 ◽  
Author(s):  
Shin-ichi Uchida ◽  
Shoji Tanaka
2021 ◽  
Author(s):  
Valère Nguepnang ◽  
Christian Kenfack Sadem ◽  
Aurelien Kenfack-Jiotsa ◽  
Florette Fobasso ◽  
Yong Sun

Abstract We studied the optical signature of bipolaron and its effects on the bandgap modulation in the single-layer Transition Metal Dichalcogenides (TMDs) under magnetic field. Using the Huybrecht method, we derived the ground state energies in the modified zero Landau levels for all Fröhlich coupling constants. We take into account both intrinsic longitudinal optical phonon modes and surface optical phonon modes induced by the polar substrate. We observed that the higher the coupling strength, the stronger is the magnetic field effect. The highest amplitude of the bandgap modulation is obtained for the MoS2 monolayer and the lowest with the WSe2 monolayer. We also found that the bipolaron is stable in TMDs. It is seen that the optical absorption presents the threshold values and respectively increases for WSe2, MoSe2, WS2 and MoS2.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Duk Hyun Lee ◽  
Sang-Jun Choi ◽  
Hakseong Kim ◽  
Yong-Sung Kim ◽  
Suyong Jung

AbstractElectron–phonon scatterings in solid-state systems are pivotal processes in determining many key physical quantities such as charge carrier mobilities and thermal conductivities. Here, we report direct probing of phonon mode specific electron–phonon scatterings in layered semiconducting transition metal dichalcogenides WSe2, MoSe2, WS2, and MoS2 through inelastic electron tunneling spectroscopy measurements, quantum transport simulations, and density functional calculation. We experimentally and theoretically characterize momentum-conserving single- and two-phonon electron–phonon scatterings involving up to as many as eight individual phonon modes in mono- and bilayer films, among which transverse, longitudinal acoustic and optical, and flexural optical phonons play significant roles in quantum charge flows. Moreover, the layer-number sensitive higher-order inelastic electron–phonon scatterings, which are confirmed to be generic in all four semiconducting layers, can be attributed to differing electronic structures, symmetry, and quantum interference effects during the scattering processes in the ultrathin semiconducting films.


Nanoscale ◽  
2017 ◽  
Vol 9 (32) ◽  
pp. 11488-11497 ◽  
Author(s):  
Antonio Cammarata ◽  
Tomas Polcar

Electron redistribution upon charge neutrality perturbation is regulated by the d3r2−z2 orbital, controlling the low frequency phonon modes influencing intrinsic friction.


2019 ◽  
Vol 32 (2) ◽  
pp. 025306
Author(s):  
Jingjie Zhang ◽  
Xufan Li ◽  
Kai Xiao ◽  
Bobby G Sumpter ◽  
Avik W Ghosh ◽  
...  

ACS Nano ◽  
2021 ◽  
Author(s):  
Miao Zhang ◽  
Martina Lihter ◽  
Tzu-Heng Chen ◽  
Michal Macha ◽  
Archith Rayabharam ◽  
...  

Author(s):  
Yoobeen Lee ◽  
Jin Won Jung ◽  
Jin Seok Lee

The reduction of intrinsic defects, including vacancies and grain boundaries, remains one of the greatest challenges to produce high-performance transition metal dichalcogenides (TMDCs) electronic systems. A deeper comprehension of the...


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