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Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.03.009
Abstract: Abstract Using a first-principles approach based on non-equilibrium Green’s functions combing density functional theory, the transport properties of “radical-σ-radical” molecule sandwiched between two gold leads are investigated. The strong negative differential resistance (DNR) effect and…
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Keywords:
transport system;
transport;
first principles;
molecular spintronics ... See more keywords
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Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232214476
Abstract: Molecular spintronics devices (MSDs) attempt to harness molecules’ quantum state, size, and configurable attributes for application in computer devices—a quest that began more than 70 years ago. In the vast number of theoretical studies and…
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Keywords:
tunnel junction;
axis anisotropies;
magnetic tunnel;
molecular spintronics ... See more keywords