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J Mol Graph Model. 2020 Jan 23;97:107543. doi: 10.1016/j.jmgm.2020.107543. [Epub ahead of print]

Theoretical study of electronic transport through P-porphyrin and S-porphyrin nanoribbons.

Author information

1
Department of Physics, Nabadwip Vidyasagar College, Nabadwip, West Bengal, 741302, India; Department of Physics, Assam University, Silchar, 788011, India.
2
Department of Physics, Assam University, Silchar, 788011, India.
3
Department of Physics, Nagaland University, Nagaland, 797004, India.
4
Department of Physics, Assam University, Silchar, 788011, India. Electronic address: utpalchemiitkgp@yahoo.com.

Abstract

Electronic transport through P-porphyrin and S-porphyrin nanoribbons have been studied by using nonequilibrium Green's function formalism (NEGF) combined with density functional theory (DFT) method. Band structure of both nanoribbons shows metallic behavior and bands near the Fermi level contain π character contributed by py orbital. Both nanoribbons exhibit metal-like conduction at extreme low bias. A remarkable negative differential resistance (NDR) effect is observed for both nanoribbons which is further explained with the evolution of transmission peak within energy bias window (EBW), and overlap of energy states of left and right electrodes. The low bias NDR phenomena of our proposed devices could be used in designing NDR devices including frequency multipliers, memory, and fast switches.

KEYWORDS:

Band structure; Nanoribbons; Negative differential resistance; Nonequilibrium Green’s function formalism

PMID:
32006741
DOI:
10.1016/j.jmgm.2020.107543

Conflict of interest statement

Declaration of competing interest There is no conflict of interest in this work among the authors.

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