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Efficient simulations with electronic open boundaries

Published:2016-08-10 Issue:7 Volume:94 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Horsfield Andrew P.,Boleininger Max,D'Agosta Roberto,Iyer Vyas,Thong Aaron,Todorov Tchavdar N.,White Catherine

Funder

Leverhulme Trust

Engineering and Physical Sciences Research Council

Thomas Young Centre

Universitat Politècnica de València

Edge Hill University

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.94.075118/fulltext

Reference25 articles.

1. Electronic Structure

2. Unimolecular Electronics

3. Density-functional method for nonequilibrium electron transport

4. AsymmetricI−Vcharacteristics and magnetoresistance in magnetic point contacts

5. Efficient implementation of the nonequilibrium Green function method for electronic transport calculations

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control;The Journal of Physical Chemistry Letters;2024-04-29

2. Estimate for thermal diffusivity in highly irradiated tungsten using molecular dynamics simulation;Physical Review Materials;2021-12-27

3. Driven Liouville–von Neumann Equation for Quantum Transport and Multiple-Probe Green’s Functions;The Journal of Physical Chemistry C;2019-04-30

4. Multiple-probe electronic open boundaries with bad contacts;Physical Review B;2019-01-10

5. Efficient electron open boundaries for simulating electrochemical cells;Physical Review B;2018-01-12

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