Electronic transport properties of boron carbide within the homogeneity range

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...

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Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114701 ◽

2021 ◽

pp. 114701

Author(s):

Osama Jalil ◽

Shahzad Ahmad ◽

Kah-Wee Ang ◽

Usman Younis

Keyword(s):

Transport Properties ◽

Electronic Transport ◽

Single Layer ◽

Black Phosphorus ◽

Electronic Transport Properties ◽

Impurity Doping

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Lithium enhancing electronic transport properties of monolayer 6,6,12-graphyne from first principles

Surfaces and Interfaces ◽

10.1016/j.surfin.2020.100903 ◽

2021 ◽

pp. 100903

Author(s):

Hui-Peng Su ◽

Zhi-Gang Shao

Keyword(s):

Transport Properties ◽

Electronic Transport ◽

First Principles ◽

Electronic Transport Properties

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

Journal of Computational Electronics ◽

10.1007/s10825-021-01663-1 ◽

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.

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

Applied Physics Letters ◽

10.1063/5.0045518 ◽

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

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Effect of chemical modification on electronic transport properties of carbyne

Journal of Computational Electronics ◽

10.1007/s10825-020-01639-7 ◽

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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