Theoretical investigation of electron transport properties in organic functional isomers - Ab initio study

2019 ◽  
Vol 494 ◽  
pp. 561-565
Author(s):  
A. Aadhityan ◽  
C. Preferencial Kala ◽  
D. John Thiruvadigal
Keyword(s):  
Electron Transport ◽  
Ab Initio ◽  
Transport Properties ◽  
Theoretical Investigation ◽  
Ab Initio Study ◽  
Electron Transport Properties

Ab Initio Study of the Sub-threshold Electron Transport Properties of Ultra-scaled Amorphous Phase Change Material Germanium Telluride

2014 ◽  
Vol 1697 ◽  
Author(s):  
Jie Liu ◽  
Xu Xu ◽  
M. P. Anantram
Keyword(s):  
Electron Transport ◽  
Ab Initio ◽  
Transport Properties ◽  
Defect States ◽  
Germanium Telluride ◽  
Voltage Curve ◽  
Current Voltage ◽  
Current Voltage Curve ◽  
Electron Transport Properties ◽  
Change Material

ABSTRACTThe sub-threshold electron transport properties of amorphous (a-) germanium telluride (GeTe) phase change material (PCM) ultra-thin films are investigated by using ab initio molecular dynamics, density function theory, and Green’s function simulations. The simulation results reproduce the trends in measured electron transport properties, e.g. current-voltage curve, intra-bandgap donor-like and acceptor-like defect states, and p-type conductivity. The underlying physical mechanism of electron transport in ultra-scaled a-PCM is unraveled. We find that, though the current-voltage curve of the ultra-scaled a-PCM resembles that of the bulk a-PCM, their physical origins are different. Unlike the electron transport in bulk a-PCM, which is governed by the Poole-Frenkel effect, the electron transport in ultra-scaled a-PCM is largely dominated by tunneling transport via intra-bandgap donor-like and acceptor-like defect states.

Theoretical Investigation of Electron Transport Properties for Firefly Keto-Form Oxyluciferin Derivatives

2014 ◽  
Vol 34 (12) ◽  
pp. 1230002
Author(s):  
闵春刚 Min Chungang ◽  
冷艳 Leng Yan ◽  
杨喜昆 Yang Xikun ◽  
黄绍军 Huang Shaojun ◽  
王绍华 Wang Shaohua ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Theoretical Investigation ◽  
Keto Form ◽  
Electron Transport Properties

Magnetic and electron transport properties of Co2Si nanomagnets

2021 ◽  
Vol 5 (2) ◽  
Author(s):  
Balamurugan Balasubramanian ◽  
Tom A. George ◽  
Priyanka Manchanda ◽  
Rabindra Pahari ◽  
Ahsan Ullah ◽  
...  
Keyword(s):  
Electron Transport ◽  
Transport Properties ◽  
Electron Transport Properties
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