Transition metal-containing molecular devices: controllable single-spin negative differential thermoelectric resistance effects under gate voltages

Author:

Yang Xifeng1234,Tan Fangxin1234,Dong Yaojun1234,Yu Hailin1234,Liu Yushen1234ORCID

Affiliation:

1. College of Physics and Electronic Engineering

2. Changshu Institute of Technology

3. Changshu 215500

4. China

Abstract

Based on the non-equilibrium Green function method combined with density functional theory, we investigate the spin-resolved transport through transition metal (TM) (= Cr, Mn, Fe and Ru)-containing molecular devices in the presence of zigzag graphene nanoribbon (ZGNR) electrodes.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Jiangsu Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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