English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

We present a generalized approach for computing electron conductance and I-Vcharacteristics in multiterminal junctions from first-principles. Within theframework of Keldysh theory, electron transmission is evaluated employing anO(N) method for electronic-structure calculations. The nonequilibrium Greenfunction for the nonequilibrium electron density of the multiterminal junctionis computed self-consistently by solving Poisson equation after applying arealistic bias. We illustrate the suitability of the method on two examples offour-terminal systems, a radialene molecule connected to carbon chains and twocrossed carbon chains brought together closer and closer. We describe chargedensity, potential profile, and transmission of electrons between any twoterminals. Finally, we discuss the applicability of this technique to studycomplex electronic devices.

First-principles methodology for quantum transport in multiterminal junctions