Strain effect on electronic structure and transport properties of zigzag α-T3 nanoribbons: A mean-field theoretical study

2021 ◽  
Author(s):  
Xing Cheng ◽  
Benhu Zhou ◽  
Benliang Zhou ◽  
Guanghui Zhou
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Theoretical Study ◽  
Mean Field ◽  
Strain Effect

Calculated Electronic Structure and Transport Properties of La.67Ca.33MnO3

1995 ◽  
Vol 384 ◽  
Author(s):  
W. H. Butler ◽  
X.-G. Zhang ◽  
J. M. Maclaren
Keyword(s):  
Electronic Structure ◽  
Total Energy ◽  
Transport Properties ◽  
Structural Properties ◽  
Magnetic Moments ◽  
Mean Field ◽  
Band Theory ◽  
Electrical Resistivities ◽  
Good Agreement

ABSTRACTWe have calculated the electronic structure, total energy, magnetic moments and electrical resistivities of La.67Ca.33MnO3 using mean field band theory. The magnetic and structural properties seem to be in good agreement with experiment. The calculations predict that La.67Ca.33MnO3 is metallic for the majority spins and semiconducting for the minority spins.

A theoretical study of the electronic structure and charge transport properties of thieno[2,3-b]benzothiophene based derivatives

2016 ◽  
Vol 18 (12) ◽  
pp. 8401-8411 ◽  
Author(s):  
Lijuan Wang ◽  
Tao Li ◽  
Yuxin Shen ◽  
Yan Song
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Intermolecular Interactions ◽  
Theoretical Study ◽  
Environmental Stability ◽  
Charge Mobility ◽  
High Charge ◽  
Π Stacking

TBT derivatives exhibit good environmental stability and high charge mobility due to their close π-stacking arrangement and multiple intermolecular interactions.

Theoretical study on the charge transport properties of three series of dicyanomethylene quinoidal thiophene derivatives

2019 ◽  
Vol 21 (6) ◽  
pp. 3044-3058 ◽  
Author(s):  
Pan-Pan Lin ◽  
Shou-Feng Zhang ◽  
Ning-Xi Zhang ◽  
Jian-Xun Fan ◽  
Li-Fei Ji ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Weak Interaction ◽  
Theoretical Study ◽  
Electron Injection ◽  
Terminal Group ◽  
Molecular Packing ◽  
Thiophene Derivatives

The effects of different connection modes on the electronic structure, electron injection ability, air stability and charge transport properties were researched. Further weak interaction was investigated to analyze the influence of terminal group and the different backbone on molecular packing.

Electronic Structure and Charge-Transport Properties of Polythiophene Chains Containing Thienothiophene Units: A Joint Experimental and Theoretical Study

2007 ◽  
Vol 19 (20) ◽  
pp. 4949-4956 ◽  
Author(s):  
Begoña Milián Medina ◽  
Antoine Van Vooren ◽  
Patrick Brocorens ◽  
Johannes Gierschner ◽  
Maxim Shkunov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study

Geometrical and Transport Properties of Disordered Fibre Networks: Analytical Results

1997 ◽  
Vol 11 (20) ◽  
pp. 867-875 ◽  
Author(s):  
A. A. Rodríaguez ◽  
E. Medina
Keyword(s):  
Probability Distribution ◽  
Transport Properties ◽  
Geometrical Structure ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Fracture Networks ◽  
Simplified Models ◽  
Fibre Density ◽  
Line Network

We study novel geometrical and transport properties of a 2D model of disordered fibre networks. To assess the geometrical structure we determine, analytically, the probability distribution for the number of fibre intersections and resulting segment sizes in the network as a function of fibre density and length. We also determine, numerically, the probability distribution of pore perimeters and areas. We find a non-monotonous behavior of the perimeter distribution whose main features can be explained by solving for two simplified models of the line network. Finally we formulate a mean field approximation to conduction, above the percolation threshold, using the derived results. Relevance of the results to fracture networks will be discussed.

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