The transport properties of silicon and carbon nanotubes at the atomic scale: a first-principles study

Author:

Ma Tengying12345,Wen Shizheng678910,Yan Likai51112134,Wu Caixia51112134,Zhang Chunmei14152134,Zhang Min51112134,Su Zhongmin12345

Affiliation:

1. College of Chemistry

2. Jilin University

3. Changchun 130012

4. P. R. China

5. Institute of Functional Material Chemistry

6. Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials

7. School of Chemistry and Chemical Engineering

8. Huaiyin Normal University

9. Huaian

10. People's Republic of China

11. Faculty of Chemistry

12. Northeast Normal University

13. Changchun

14. Department of Cell Biology

15. College of Basic Medical Sciences

Abstract

We report a comparative study of the intrinsic electronic and transport properties of four pairs of SiNTs and CNTs using density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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