<commit_before>.. _publications:

Publications using sisl
=======================

The `sisl` tool-suite has been used one way or the other in the listed
publications below.

Please help maintaining the list complete via a `pull request <pr_>`_ or
by writing an email to `<EMAIL> <mailto:<EMAIL>>`_.

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *High and reversible spin polarization in a collinear antiferromagnet*,
   Applied Physics Review, **7**, `031405 (2020) <https://aip.scitation.org/doi/10.1063/5.0004564>`_

#. <NAME>, *et. al.*,
   *Siesta: Recent developments and applications*,
   J. Chem. Phys. **152**, `204108 (2020) <https://doi.org/10.1063/5.0005077>`_

#. <NAME>, <NAME>, <NAME>, <NAME>,
   *Removing all periodic boundary conditions: Efficient non-equilibrium Green's function calculations*
   Physical Review B **100**, `195417 (2019) <https://doi.org/10.1103/PhysRevB.100.195417>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Crossed graphene nanoribbons as beam splitters and mirrors for electron quantum optics*,
   Physical Review B **102**, `035436 (2020) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.035436>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Uncovering the Triplet Ground State of Triangular Graphene Nanoflakes Engineered with Atomic Precision on a Metal Surface*,
   Physical Review Letters **124**, `177201 (2020) <https://doi.org/10.1103/PhysRevLett.124.177201>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Control of Crystal Symmetry Breaking with Halogen-Substituted Benzylammonium in Layered Hybrid Metal-Halide Perovskites*,
   Journal of the American Chemical Society **142**, `11 (2020) <https://doi.org/10.1021/jacs.9b11809>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Nonequilibrium Bond Forces in Single-Molecule Junctions*,
   Nano Letters **19** `11 (2019) <https://doi.org/10.1021/acs.nanolett.9b02845>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Fractional corner charges in spin-orbit coupled crystals*,
   Physical Rev. Research **1**, `033074 (2019) <https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.1.033074>`_

#. <NAME>, <NAME>, <NAME>,
   *Alloying-induced Spin Seebeck Effect and Spin Figure of Merit in Pt-based Bimetallic Atomic Wires of Noble Metals*,
   Physical Chemistry Chemical Physics **21** `20965 (2019) <https://doi.org/10.1039/C9CP01671F>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Exchange interactions from a nonorthogonal basis set: From bulk ferromagnetsto the magnetism in low-dimensional graphene systems*,
   Physical Review B **99**, `224412 (2019) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.224412>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Quantum interference engineering of nanoporous graphene for carbon nanocircuitry*,
   Journal of the American Chemical Society `141 (2019) <https://doi.org/10.1021/jacs.9b04649>`_

#. <NAME>, <NAME>, <NAME>,
   *Current-induced atomic forces in gated graphene nanoconstrictions*,
   Physical Review B **100**, `035415 (2019) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.100.035415>`_

#. <NAME>, <NAME>, <NAME>, <NAME>,
   *Ballistic phonon thermal transport across nano-junctions on aluminum and platinum nanowires*,
   AIP Conference Proceedings **2093**, `020029 (2019) <https://doi.org/10.1063/1.5097098>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Multi-scale approach to first-principles electron transport beyond 100 nm*,
   Nanoscale **11**, `6153 (2019) <https://www.doi.org/10.1039/C9NR00866G>`_

#. <NAME>, <NAME> and <NAME>,
   *On topology-tuned thermoelectric properties of noble metal atomic wires*,
   Physica E: Low-dimensional Systems and Nanostructures **109**, `114 (2019) <https://doi.org/10.1016/j.physe.2019.01.007>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Single spin localization and manipulation in graphene open-shell nanostructures*,
   Nature Communications **10**, `200 (2019) <https://www.nature.com/articles/s41467-018-08060-6>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Electron Transport in Nanoporous Graphene: Probing the Talbot Effect*,
   Nano Letters **19**, `1 (2019) <https://www.doi.org/10.1021/acs.nanolett.8b04616>`_

#. <NAME> and <NAME>,
   *Structure sensitivity of electronic transport across graphene grain boundaries*,
   Physical Review B **98**, `155432 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.155432>`_

#. <NAME> and <NAME>,
   *Phosphorene as nanoelectromechanical material*,
   Physical Review B **98**, `125427 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.125427>`_

#. <NAME>, <NAME>, <NAME> and <NAME>,
   *Large-scale tight-binding simulations of quantum transport in ballistic graphene*,
   Journal of Physics: Condensed Matter, **36**, `36 (2018) <http://iopscience.iop.org/article/10.1088/1361-648X/aad6f1>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Exfoliation of single layer BiTeI flakes*,
   2D Materials **5**, `3 (2018) <http://stacks.iop.org/2053-1583/5/i=3/a=031013>`_.

#. <NAME> and <NAME>,
   *Charge transport in doped zigzag phosphorene nanoribbons*,
   Physical Review B **97**, `235406 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.235406>`_

#. <NAME>, <NAME> and <NAME>,
   *Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures*,
   Journal of Physics: Condensed Matter **30**, `25 (2018) <http://iopscience.iop.org/article/10.1088/1361-648X/aac4dd>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Bottom-up synthesis of multifunctional nanoporous graphene*,
   Science **360**, `6385 (2018) <http://www.sciencemag.org/lookup/doi/10.1126/science.aar2009>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *A two-dimensional Dirac fermion microscope*,
   Nature Communications **8**, `15783 (2017) <http://www.nature.com/doifinder/10.1038/ncomms15783>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *A tunable electronic beam splitter realized with crossed graphene nanoribbons*,
   Journal of Chemical Physics **146**, `092318 (2017) <http://aip.scitation.org/doi/10.1063/1.4974895>`_

#. <NAME>, <NAME>, <NAME> and <NAME>,
   *Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters*,
   Nano Letters **17**, `12 (2017) <https://pubs.acs.org/doi/10.1021/acs.nanolett.7b03066>`_
   
#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks*,
   Journal of Physical Chemistry Letters **8**, `3415 (2017) <http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b01248>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Improvements on non-equilibrium and transport Green function techniques: The next-generation TranSiesta*,
   Computer Physics Communications **212**, `8 (2017) <https://doi.org/10.1016/j.cpc.2016.09.022>`_


arXiv publications
------------------

These publications are as far as we know in the review process.

- <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
  *Structural and electronic properties of realistic two-dimensional amorphous topological insulators*,
  `2010.14239 <https://arxiv.org/abs/2010.14239>`_

- <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
  *Moiré ordered current loops in the graphene twist bilayer*,
  `1901.04712 <https://arxiv.org/abs/1901.04712>`_<commit_msg>doc: added 2 more publications<commit_after>.. _publications:

Publications using sisl
=======================

The `sisl` tool-suite has been used one way or the other in the listed
publications below.

Please help maintaining the list complete via a `pull request <pr_>`_ or
by writing an email to `nickpapior AT gmail.com <mailto:<EMAIL>>`_.

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
  *Structural and electronic properties of realistic two-dimensional amorphous topological insulators*,
   2D Materials **8**, `2 (2021) <https://doi.org/10.1088/2053-1583/abdb97>`_.

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *High and reversible spin polarization in a collinear antiferromagnet*,
   Applied Physics Review, **7**, `031405 (2020) <https://aip.scitation.org/doi/10.1063/5.0004564>`_

#. <NAME>, *et. al.*,
   *Siesta: Recent developments and applications*,
   J. Chem. Phys. **152**, `204108 (2020) <https://doi.org/10.1063/5.0005077>`_

#. <NAME>, <NAME>, <NAME>, <NAME>,
   *Removing all periodic boundary conditions: Efficient non-equilibrium Green's function calculations*
   Physical Review B **100**, `195417 (2019) <https://doi.org/10.1103/PhysRevB.100.195417>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Crossed graphene nanoribbons as beam splitters and mirrors for electron quantum optics*,
   Physical Review B **102**, `035436 (2020) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.035436>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Uncovering the Triplet Ground State of Triangular Graphene Nanoflakes Engineered with Atomic Precision on a Metal Surface*,
   Physical Review Letters **124**, `177201 (2020) <https://doi.org/10.1103/PhysRevLett.124.177201>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Control of Crystal Symmetry Breaking with Halogen-Substituted Benzylammonium in Layered Hybrid Metal-Halide Perovskites*,
   Journal of the American Chemical Society **142**, `11 (2020) <https://doi.org/10.1021/jacs.9b11809>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Nonequilibrium Bond Forces in Single-Molecule Junctions*,
   Nano Letters **19** `11 (2019) <https://doi.org/10.1021/acs.nanolett.9b02845>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Fractional corner charges in spin-orbit coupled crystals*,
   Physical Rev. Research **1**, `033074 (2019) <https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.1.033074>`_

#. <NAME>, <NAME>, <NAME>,
   *Alloying-induced Spin Seebeck Effect and Spin Figure of Merit in Pt-based Bimetallic Atomic Wires of Noble Metals*,
   Physical Chemistry Chemical Physics **21** `20965 (2019) <https://doi.org/10.1039/C9CP01671F>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Exchange interactions from a nonorthogonal basis set: From bulk ferromagnetsto the magnetism in low-dimensional graphene systems*,
   Physical Review B **99**, `224412 (2019) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.224412>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
   *Quantum interference engineering of nanoporous graphene for carbon nanocircuitry*,
   Journal of the American Chemical Society `141 (2019) <https://doi.org/10.1021/jacs.9b04649>`_

#. <NAME>, <NAME>, <NAME>,
   *Current-induced atomic forces in gated graphene nanoconstrictions*,
   Physical Review B **100**, `035415 (2019) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.100.035415>`_

#. <NAME>, <NAME>, <NAME>, <NAME>,
   *Ballistic phonon thermal transport across nano-junctions on aluminum and platinum nanowires*,
   AIP Conference Proceedings **2093**, `020029 (2019) <https://doi.org/10.1063/1.5097098>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Multi-scale approach to first-principles electron transport beyond 100 nm*,
   Nanoscale **11**, `6153 (2019) <https://www.doi.org/10.1039/C9NR00866G>`_

#. <NAME>, <NAME> and <NAME>,
   *On topology-tuned thermoelectric properties of noble metal atomic wires*,
   Physica E: Low-dimensional Systems and Nanostructures **109**, `114 (2019) <https://doi.org/10.1016/j.physe.2019.01.007>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Single spin localization and manipulation in graphene open-shell nanostructures*,
   Nature Communications **10**, `200 (2019) <https://www.nature.com/articles/s41467-018-08060-6>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Electron Transport in Nanoporous Graphene: Probing the Talbot Effect*,
   Nano Letters **19**, `1 (2019) <https://www.doi.org/10.1021/acs.nanolett.8b04616>`_

#. <NAME> and <NAME>er,
   *Structure sensitivity of electronic transport across graphene grain boundaries*,
   Physical Review B **98**, `155432 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.155432>`_

#. <NAME> and <NAME>,
   *Phosphorene as nanoelectromechanical material*,
   Physical Review B **98**, `125427 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.125427>`_

#. <NAME>, <NAME>, <NAME> and <NAME>,
   *Large-scale tight-binding simulations of quantum transport in ballistic graphene*,
   Journal of Physics: Condensed Matter, **36**, `36 (2018) <http://iopscience.iop.org/article/10.1088/1361-648X/aad6f1>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Exfoliation of single layer BiTeI flakes*,
   2D Materials **5**, `3 (2018) <http://stacks.iop.org/2053-1583/5/i=3/a=031013>`_.

#. <NAME> and <NAME>,
   *Charge transport in doped zigzag phosphorene nanoribbons*,
   Physical Review B **97**, `235406 (2018) <https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.235406>`_

#. <NAME>, <NAME> and <NAME>,
   *Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures*,
   Journal of Physics: Condensed Matter **30**, `25 (2018) <http://iopscience.iop.org/article/10.1088/1361-648X/aac4dd>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Bottom-up synthesis of multifunctional nanoporous graphene*,
   Science **360**, `6385 (2018) <http://www.sciencemag.org/lookup/doi/10.1126/science.aar2009>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *A two-dimensional Dirac fermion microscope*,
   Nature Communications **8**, `15783 (2017) <http://www.nature.com/doifinder/10.1038/ncomms15783>`_

#. <NAME>, <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *A tunable electronic beam splitter realized with crossed graphene nanoribbons*,
   Journal of Chemical Physics **146**, `092318 (2017) <http://aip.scitation.org/doi/10.1063/1.4974895>`_

#. <NAME>, <NAME>, <NAME> and <NAME>,
   *Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters*,
   Nano Letters **17**, `12 (2017) <https://pubs.acs.org/doi/10.1021/acs.nanolett.7b03066>`_
   
#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks*,
   Journal of Physical Chemistry Letters **8**, `3415 (2017) <http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b01248>`_

#. <NAME>, <NAME>, <NAME>, <NAME> and <NAME>,
   *Improvements on non-equilibrium and transport Green function techniques: The next-generation TranSiesta*,
   Computer Physics Communications **212**, `8 (2017) <https://doi.org/10.1016/j.cpc.2016.09.022>`_


arXiv publications
------------------

These publications are as far as we know in the review process.

- <NAME>, <NAME>, <NAME>, <NAME>,
  *Surface states and related quantum interference in ab initio electron transport*,
  `2103.11120 <https://arxiv.org/abs/2103.11120>`_

- <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>, <NAME>,
  *Moiré ordered current loops in the graphene twist bilayer*,
  `1901.04712 <https://arxiv.org/abs/1901.04712>`_
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