scholarly journals Electron-phonon interactions for optical-phonon modes in few-layer graphene: First-principles calculations

2009 ◽  
Vol 79 (11) ◽  
Author(s):  
Jia-An Yan ◽  
W. Y. Ruan ◽  
M. Y. Chou
Keyword(s):  
Optical Phonon ◽  
First Principles ◽  
First Principles Calculations ◽  
Phonon Modes ◽  
Layer Graphene ◽  
Few Layer Graphene

scholarly journals Alkali metals inside bi-layer graphene and MoS2: Insights from first-principles calculations

Nano Energy ◽  
2020 ◽  
Vol 75 ◽  
pp. 104927 ◽  
Author(s):  
Ilya V. Chepkasov ◽  
Mahdi Ghorbani-Asl ◽  
Zakhar I. Popov ◽  
Jurgen H. Smet ◽  
Arkady V. Krasheninnikov
Keyword(s):  
First Principles ◽  
Alkali Metals ◽  
First Principles Calculations ◽  
Layer Graphene

Combined First-Principles Calculations and Experimental Study of the Phonon Modes in the Multiferroic Compound GeV4S8

2017 ◽  
Vol 121 (6) ◽  
pp. 3522-3529 ◽  
Author(s):  
Elena Cannuccia ◽  
Vinh Ta Phuoc ◽  
Benjamin Brière ◽  
Laurent Cario ◽  
Etienne Janod ◽  
...  
Keyword(s):  
Experimental Study ◽  
First Principles ◽  
First Principles Calculations ◽  
Phonon Modes

scholarly journals Gallium arsenide thermal conductivity and optical phonon relaxation times from first-principles calculations

2013 ◽  
Vol 101 (1) ◽  
pp. 16001 ◽  
Author(s):  
Tengfei Luo ◽  
Jivtesh Garg ◽  
Junichiro Shiomi ◽  
Keivan Esfarjani ◽  
Gang Chen
Keyword(s):  
Thermal Conductivity ◽  
Gallium Arsenide ◽  
Optical Phonon ◽  
First Principles ◽  
Relaxation Times ◽  
First Principles Calculations

scholarly journals Optical Properties of Graphene/MoS2 Heterostructure: First Principles Calculations

Nanomaterials ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 962 ◽  
Author(s):  
Bin Qiu ◽  
Xiuwen Zhao ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Junfeng Ren ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Single Layer ◽  
Single Layer Graphene ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Layer Graphene ◽  
Two Dimensional Materials

The electronic structure and the optical properties of Graphene/MoS2 heterostructure (GM) are studied based on density functional theory. Compared with single-layer graphene, the bandgap will be opened; however, the bandgap will be reduced significantly when compared with single-layer MoS2. Redshifts of the absorption coefficient, refractive index, and the reflectance appear in the GM system; however, blueshift is found for the energy loss spectrum. Electronic structure and optical properties of single-layer graphene and MoS2 are changed after they are combined to form the heterostructure, which broadens the extensive developments of two-dimensional materials.

Phonons in few-layer graphene and interplanar interaction: A first-principles study

2008 ◽  
Vol 78 (16) ◽  
Author(s):  
Srijan Kumar Saha ◽  
U. V. Waghmare ◽  
H. R. Krishnamurthy ◽  
A. K. Sood
Keyword(s):  
First Principles ◽  
Layer Graphene ◽  
First Principles Study ◽  
Few Layer Graphene

Observation of low-wavenumber out-of-plane optical phonon in few-layer graphene

2012 ◽  
Vol 44 (1) ◽  
pp. 70-74 ◽  
Author(s):  
Jingzhi Shang ◽  
Chunxiao Cong ◽  
Jun Zhang ◽  
Qihua Xiong ◽  
Gagik G. Gurzadyan ◽  
...  
Keyword(s):  
Optical Phonon ◽  
Layer Graphene ◽  
Out Of Plane ◽  
Few Layer Graphene
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