scholarly journals A method to study electronic transport properties of molecular junction: one-dimension transmission combined with three-dimension correction approximation (OTCTCA)

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Ran Liu ◽  
Chuan-Kui Wang ◽  
Zong-Liang Li
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
One Dimension ◽  
Molecular Junction ◽  
Three Dimension ◽  
Electronic Transport Properties

ELECTRONIC TRANSPORT PROPERTIES OF SILICON NANOWIRE CAGE

2018 ◽  
Author(s):  
Shenqiu Mo ◽  
Dengke Ma ◽  
Lina Yang ◽  
Meng An ◽  
Zhiyu Liu ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Silicon Nanowire ◽  
Electronic Transport Properties

Improved thermoelectric transport properties of Ge4Se3Te through dimensionality reduction

2021 ◽  
Author(s):  
H. H. Huang ◽  
Xiaofeng Fan ◽  
Wei Tao Zheng ◽  
David J. Singh
Keyword(s):  
Dimensionality Reduction ◽  
Transport Properties ◽  
Electronic Transport ◽  
Thermoelectric Transport ◽  
Electronic Transport Properties ◽  
Thermoelectric Transport Properties

Layered semiconducting Ge4Se3Te shows unusual bonding that suggests the possibility of unusual transport that may be favorable for thermoelectrics. We investigated the electronic transport properties in relation to thermoelectricity of...

scholarly journals Effect of vacancy defects on the electronic transport properties of an Ag–ZnO–Pt sandwich structure

2021 ◽  
Vol 20 (2) ◽  
pp. 798-804
Author(s):  
G. R. Berdiyorov ◽  
F. Boltayev ◽  
G. Eshonqulov ◽  
H. Hamoudi
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Practical Importance ◽  
Functional Formalism ◽  
Vacancy Defects ◽  
Electronic Transport Properties ◽  
Charge Localization ◽  
Metal Insulator Metal ◽  
Current Rectification

AbstractThe effect of zinc and oxygen vacancy defects on the electronic transport properties of Ag(100)–ZnO(100)–Pt(100) sandwich structures is studied using density functional theory in combination with the nonequilibrium Green’s functional formalism. Defect-free systems show clear current rectification due to voltage dependent charge localization in the system as revealed in our transmission eigenstates analysis. Regardless of the location, oxygen vacancies result in enhanced current in the system, whereas Zn vacancy defects reduce the charge transport across the junction. The current rectification becomes less pronounced in the presence of both types of vacancy defects. Our findings can be of practical importance for developing metal-insulator-metal diodes.

Evolution of atomic structure and electronic transport properties in n-type Bi2Te3 films via Bi2 planar defects

2021 ◽  
Vol 118 (10) ◽  
pp. 103901
Author(s):  
Min Zhang ◽  
Wei Liu ◽  
Cheng Zhang ◽  
Sen Xie ◽  
Fuqiang Hua ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Atomic Structure ◽  
Planar Defects ◽  
Electronic Transport Properties

scholarly journals Effect of chemical modification on electronic transport properties of carbyne

2021 ◽  
Author(s):  
G. R. Berdiyorov ◽  
U. Khalilov ◽  
H. Hamoudi ◽  
Erik C. Neyts
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Structural Changes ◽  
Carbon Chain ◽  
Functional Formalism ◽  
Functional Theory ◽  
Carbon Allotrope ◽  
Electronic Transport Properties ◽  
Interface Structures

AbstractUsing density functional theory in combination with the Green’s functional formalism, we study the effect of surface functionalization on the electronic transport properties of 1D carbon allotrope—carbyne. We found that both hydrogenation and fluorination result in structural changes and semiconducting to metallic transition. Consequently, the current in the functionalization systems increases significantly due to strong delocalization of electronic states along the carbon chain. We also study the electronic transport in partially hydrogenated carbyne and interface structures consisting of pristine and functionalized carbyne. In the latter case, current rectification is obtained in the system with rectification ratio up to 50%. These findings can be useful for developing carbyne-based structures with tunable electronic transport properties.

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