DTU Fysik
DTU Nanotech
Mads Brandbyge

Mads Brandbyge

Professor

Department of Physics

Technical University of Denmark

Ørsteds Plads

Building 345C, room 201F

2800 Kgs. Lyngby

Request a vCard via e-mail.

Publications
Projects
Activities
Courses
CV
DTU news
Loading

Publications rss feed

2020
  PDF

QuantumATK: An integrated platform of electronic and atomic-scale modelling tools

Smidstrup, Søren ; Markussen, Troels ; Vancraeyveld, Pieter ; Wellendorff, Jess ; Schneider, Julian ; Gunst, Tue ; Verstichel, Brecht ; Stradi, Daniele ; Khomyakov, Petr A. ; Vej-Hansen, Ulrik Grønbjerg ; Lee, Maeng-Eun ; Chill, Samuel T. ; Rasmussen, Filip ; Penazzi, Gabriele ; Corsetti, Fabiano ; Ojanpera, Ari ; Jensen, Kristian ; Palsgaard, Mattias L. N. ; Martinez, Umberto ; Blom, Anders ; Brandbyge, Mads ; Stokbro, Kurt
in: Journal of Physics: Condensed Matter, vol: 32, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1088/1361-648X/ab4007

2019
  PDF

Current-induced atomic forces in gated graphene nanoconstrictions

Leitherer, Susanne ; Papior, Nick Rübner ; Brandbyge, Mads
in: Physical Review B, vol: 100, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1103/PhysRevB.100.035415

  PDF

Electron transport in nanoporous graphene: Probing the Talbot effect

Calogero, Gaetano ; Papior, Nick Rübner ; Kretz, Bernhard ; Garcia-Lekue, Aran ; Frederiksen, Thomas ; Brandbyge, Mads
in: Nano letters, vol: 19, issue: 1, pages: 576-581

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.nanolett.8b04616

 

Graphene Subgrain-Defined Oxidation of Copper

Luo, Birong ; Koleini, Mohammad ; Whelan, Patrick Rebsdorf ; Shivayogimath, Abhay ; Brandbyge, Mads ; Bøggild, Peter ; Booth, Timothy J.
in: ACS Applied Materials and Interfaces, vol: 11, issue: 51, pages: 48518-48524

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acsami.9b15931

 

Green function, quasi-classical Langevin and Kubo–Greenwood methods in quantum thermal transport

Sevinçli, H. ; Roche, S. ; Cuniberti, G. ; Brandbyge, Mads ; Gutierrez, R. ; Medrano Sandonas, L.
in: Journal of Physics: Condensed Matter, vol: 31, issue: 27

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1088/1361-648X/ab119a

  PDF

Multi-scale approach to first-principles electron transport beyond 100 nm

Calogero, Gaetano ; Papior, Nick Rübner ; Koleini, Mohammad ; Larsen, Matthew Helmi Leth ; Brandbyge, Mads
in: Nanoscale, vol: 11, issue: 13, pages: 6153-6164

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9nr00866g

 

Nonequilibrium Bond Forces in Single-Molecule Junctions

Brand, Jonathan ; Leitherer, Susanne ; Papior, Nick Rübner ; Néel, Nicolas ; Lei, Yong ; Brandbyge, Mads ; Kröger, Jörg
in: Nano Letters, vol: 19, issue: 11, pages: 7845-7851

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.nanolett.9b02845

 

Quantum Interference Engineering of Nanoporous Graphene for Carbon Nanocircuitry

Calogero, Gaetano ; Alcón, Isaac ; Papior, Nick Rübner ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Journal of the American Chemical Society, vol: 141, issue: 33, pages: 13081-13088

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/jacs.9b04649

  PDF

Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

Papior, Nick Rübner ; Calogero, Gaetano ; Leitherer, Susanne ; Brandbyge, Mads
in: Physical Review B, vol: 100, issue: 19

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1103/physrevb.100.195417

 

Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Lu, Jing Tao ; Hu, Bing-Zhong ; Hedegård, Per ; Brandbyge, Mads
in: Progress in Surface Science, vol: 94, issue: 1, pages: 21-40

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.progsurf.2018.07.002

2018
  PDF

A Graphene-Edge Ferroelectric Molecular Switch

Caridad, José M. ; Calogero, Gaetano ; Pedrinazzi, Paolo ; Santos, Jaime Eduardo Vieira da Silva Moutinho ; Impellizzeri, Anthony ; Gunst, Tue ; Booth, Timothy J. ; Sordan, Roman ; Bøggild, Peter ; Brandbyge, Mads
in: Nano letters, vol: 18, issue: 8, pages: 4675-4683

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.nanolett.8b00797

  PDF

Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts

Kretz, Bernhard ; Pedersen, Christian Søndergaard ; Stradi, Daniele ; Brandbyge, Mads ; Garcia-Lekue, Aran
in: Physical Review Applied, vol: 10, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1103/PhysRevApplied.10.024016

  PDF

Directed growth of hydrogen lines on graphene: High-throughput simulations powered by evolutionary algorithm

Özbal, G. ; Falkenberg, J.T. ; Brandbyge, M. ; Senger, R. T. ; Sevincli, H.
in: Physical Review Materials, vol: 2, issue: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1103/PhysRevMaterials.2.073406

  PDF

Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices

Palsgaard, Mattias Lau Nøhr ; Markussen, Troels ; Gunst, Tue ; Brandbyge, Mads ; Stokbro, Kurt
in: Physical Review Applied, vol: 10, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1103/PhysRevApplied.10.014026

  PDF

Large-scale tight-binding simulations of quantum transport in ballistic graphene

Calogero, Gaetano ; Papior, Nick Rübner ; Bøggild, Peter ; Brandbyge, Mads
in: JOURNAL OF PHYSICS-CONDENSED MATTER, vol: 30, issue: 36

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1088/1361-648X/aad6f1

  PDF

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

Papior, Nick Rübner ; Calogero, Gaetano ; Brandbyge, Mads
in: JOURNAL OF PHYSICS-CONDENSED MATTER, vol: 30, issue: 25

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1088/1361-648X/aac4dd

  PDF

Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels

Palsgaard, Mattias Lau Nøhr ; Gunst, Tue ; Markussen, Troels ; Thygesen, Kristian Sommer ; Brandbyge, Mads
in: Nano letters, vol: 18, issue: 11, pages: 7275-7281

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.nanolett.8b03474

  PDF

Understanding and Engineering Phonon-Mediated Tunneling into Graphene on Metal Surfaces

Halle, Johannes ; Néel, Nicolas ; Fonin, Mikhail ; Brandbyge, Mads ; Kröger, Jörg
in: Nano letters, vol: 18, issue: 9, pages: 5697-5701

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.nanolett.8b02295

2017
  PDF

A two-dimensional Dirac fermion microscope

Bøggild, Peter ; Caridad, Jose ; Stampfer, Christoph ; Calogero, Gaetano ; Papior, Nick Rübner ; Brandbyge, Mads
in: Nature Communications, vol: 8, pages: 15783

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1038/ncomms15783

  PDF

Boosting the Open Circuit Voltage of Cu2ZnSnS4 Solar Cells by a Lattice-Matched CeO2 Layer and Theoretical Understanding of Interface Defects

Crovetto, Andrea ; Yan, C. ; Palsgaard, Mattias Lau Nøhr ; Iandolo, Beniamino ; Zhou, F. ; Gunst, Tue ; Markussen, T. ; Stride, J. ; Schou, Jørgen ; Stokbro, Kurt ; Brandbyge, Mads ; Hao, X. ; Hansen, Ole
Presented at:
2017 MRS Spring Meeting & Exhibit

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2017

  PDF

Electron-phonon scattering from Green’s function transport combined with molecular dynamics

Markussen, Troels ; Palsgaard, Mattias Lau Nøhr ; Stradi, Daniele ; Gunst, Tue ; Brandbyge, Mads ; Stokbro, Kurt
in: Physical Review B, vol: 95

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1103/PhysRevB.95.245210

  PDF

Field Effect in Graphene-Based van der Waals Heterostructures: Stacking Sequence Matters

Stradi, Daniele ; Papior, Nick Rübner ; Hansen, Ole ; Brandbyge, Mads
in: Nano letters, vol: 17, issue: 4, pages: 2660-2666

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1021/acs.nanolett.7b00473

  PDF

First-principles electron transport with phonon coupling: Large scale at low cost

Gunst, Tue ; Markussen, Troels ; Palsgaard, Mattias L. N. ; Stokbro, Kurt ; Brandbyge, Mads
in: Physical Review B, vol: 96, issue: 16

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1103/PhysRevB.96.161404

  PDF

Flexural-Phonon Scattering Induced by Electrostatic Gating in Graphene

Gunst, Tue ; Kaasbjerg, Kristen ; Brandbyge, Mads
in: Physical Review Letters, vol: 118, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1103/PhysRevLett.118.046601

  PDF

Grain boundary-induced variability of charge transport in hydrogenated polycrystalline graphene

Barrios-Vargas, Jose E. ; Falkenberg, Jesper Toft ; Soriano, David ; Cummings, Aron W. ; Brandbyge, Mads ; Roche, Stephan
in: 2D materials, vol: 4, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1088/2053-1583/aa59de

  PDF

Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

Papior, Nick Rübner ; Lorente, Nicolás ; Frederiksen, Thomas ; García, Alberto ; Brandbyge, Mads
in: Computer Physics Communications, vol: 212, pages: 8-24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1016/j.cpc.2016.09.022

  PDF

Interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells

Crovetto, Andrea ; Palsgaard, Mattias Lau Nøhr ; Gunst, Tue ; Markussen, Troels ; Stokbro, Kurt ; Brandbyge, Mads ; Hansen, Ole
in: Applied Physics Letters, vol: 110

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1063/1.4976830

  PDF

Mechanochemistry Induced Using Force Exerted by a Functionalized Microscope Tip

Zhang, Yajie ; Wang, Yongfeng ; Lü, Jing-Tao ; Brandbyge, Mads ; Berndt, Richard
in: Angewandte Chemie International Edition, vol: 56, issue: 39, pages: 11769-11773

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1002/anie.201704940

 

New approaches for first-principles modelling of inelastic transport in nanoscale semiconductor devices with thousands of atoms

Gunst, Tue ; Brandbyge, Mads ; Palsgaard, Mattias Lau Nøhr ; Markussen, Troels ; Stokbro, Kurt
part of: 2017 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), pages: 13-16, 2017, IEEE
Presented at:
International Conference on Simulation of Semiconductor Processes and Devices 2017

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.23919/SISPAD.2017.8085252

  PDF

Strong paramagnon scattering in single atom Pd contacts

Schendel, V. ; Barreteau, Cyrille ; Brandbyge, Mads ; Borca, Bogdana ; Pentegov, I. ; Schlickum, U. ; Ternes, M. ; Wahl, P. ; Kern, K.
in: Physical Review B, vol: 96, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1103/PhysRevB.96.035155

2016
  PDF

All-graphene edge contacts

Jacobsen, Kåre Wedel ; Falkenberg, Jesper Toft ; Papior, Nick Rübner ; Bøggild, Peter ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Carbon, vol: 101, pages: 101-106

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1016/j.carbon.2016.01.084

 

Atomistic approach for modeling metal-semiconductor interfaces

Stradi, Daniele ; Martinez, Umberto ; Blom, Anders ; Brandbyge, Mads ; Stokbro, Kurt
part of: Proceedings of the 16th International Conference on Nanotechnology, pages: 895-898, 2016, IEEE
Presented at:
IEEE 16th International Conference on Nanotechnology

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1109/NANO.2016.7751401

  PDF

Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

Christensen, Rasmus Bjerregaard ; Lu, Jing Tao ; Hedegard, Per ; Brandbyge, Mads
in: Beilstein Journal of Nanotechnology, vol: 7, pages: 68-74

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.3762/bjnano.7.8

  PDF

Electron and phonon drag in thermoelectric transport through coherent molecular conductors

Lü, Jing-Tao ; Wang, Jian-Sheng ; Hedegård, Per ; Brandbyge, Mads
in: Physical Review B, vol: 93, issue: 20

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016

  PDF

First-principles method for electron-phonon coupling and electron mobility

Gunst, Tue ; Markussen, Troels ; Stokbro, Kurt ; Brandbyge, Mads
in: Physical Review B, vol: 93, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1103/physrevb.93.035414

  PDF

General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function

Stradi, Daniele ; Martinez, Umberto ; Blom, Anders ; Brandbyge, Mads ; Stokbro, Kurt
in: Physical Review B, vol: 93, issue: 15

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1103/PhysRevB.93.155302

  PDF

Graphene Nanobubbles as Valley Filters and Beam Splitters

Settnes, Mikkel ; Power, Stephen ; Brandbyge, Mads ; Jauho, Antti-Pekka
in: Physical Review Letters, vol: 117, issue: 27

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1103/PhysRevLett.117.276801

  PDF

Inelastic vibrational signals in electron transport across graphene nanoconstrictions

Gunst, Tue ; Markussen, Troels ; Stokbro, Kurt ; Brandbyge, Mads
in: Physical Review B, vol: 93, issue: 24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1103/PhysRevB.93.245415

 

Localized electronic states at grain boundaries on the surface of graphene and graphite

Luican-Mayer, Adina ; Barrios-Vargas, Jose E. ; Falkenberg, Jesper Toft ; Autès, Gabriel ; Cummings, Aron W. ; Soriano, David ; Li, Guohong ; Brandbyge, Mads ; Yazyev, Oleg V. ; Roche, Stephan ; Andrei, Eva Y.
in: 2D materials, vol: 3, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1088/2053-1583/3/3/031005

  PDF

Manipulating the voltage drop in graphene nanojunctions using a gate potential

Papior, Nick Rübner ; Gunst, Tue ; Stradi, Daniele ; Brandbyge, Mads
in: Physical Chemistry Chemical Physics

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016

 

Semiconductor band alignment from first principles: a new nonequilibrium Green's function method applied to the CZTSe/CdS interface for photovoltaics

Palsgaard, Mattias Lau Nøhr ; Crovetto, Andrea ; Gunst, Tue ; Markussen, Troels ; Hansen, Ole ; Stokbro, Kurt ; Brandbyge, Mads
part of: 2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), pages: 377-380, 2016, IEEE
Presented at:
International Conference on Simulation of Semiconductor Processes and Devices 2016

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1109/SISPAD.2016.7605225

 

Tunneling spectra of graphene on copper unraveled

Zhang, Xin ; Stradi, Daniele ; Liu, Lei ; Luo, Hong ; Brandbyge, Mads ; Gu, Gong
in: Physical Chemistry Chemical Physics, vol: 18, issue: 25, pages: 17081-90

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: https://doi.org/10.1039/c6cp01572g

2015
  PDF

Current-Induced Forces and Hot Spots in Biased Nanojunctions

Lu, Jing Tao ; Christensen, Rasmus Bjerregaard ; Wang, Jian-Sheng ; Hedegård, Per ; Brandbyge, Mads
in: Physical Review Letters, vol: 114, issue: 9, pages: 096801

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1103/PhysRevLett.114.096801

  PDF

Giant tunnel-electron injection in nitrogen-doped graphene

Lagoute, Jerome ; Joucken, Frederic ; Repain, Vincent ; Tison, Yann ; Chacon, Cyril ; Bellec, Amandine ; Girard, Yann ; Sporken, Robert ; Conrad, Edward H. ; Ducastelle, Francois ; Palsgaard, Mattias Lau Nøhr ; Andersen, Nick Papior ; Brandbyge, Mads ; Rousset, Sylvie
in: Physical Review B Condensed Matter, vol: 91, issue: 12

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1103/PhysRevB.91.125442

  PDF

Identification of pristine and defective graphene nanoribbons by phonon signatures in the electron transport characteristics

Christensen, Rasmus Bjerregaard ; Frederiksen, Thomas ; Brandbyge, Mads
in: Physical Review B, vol: 91, issue: 7, pages: 075434

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1103/PhysRevB.91.075434

 

Mobility and bulk electron-phonon interaction in two-dimensional materials

Gunst, Tue ; Brandbyge, Mads ; Markussen, Troels ; Stokbro, Kurt
part of: 2015 International Conference on Simulation of Semiconductor Processes and Devices , pages: 32-35, 2015, IEEE
Presented at:
International Conference on Simulation of Semiconductor Processes and Devices 2015

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1109/SISPAD.2015.7292251

  PDF

Multiple electrode (Ne≥1) support in the DFT+NEGF code TranSIESTA

Papior, Nick Rübner ; Brandbyge, Mads
Presented at:
PSI-K 2015 Conference

Type: Poster (Peer reviewed)

Status: Published     |    Year: 2015

  PDF

Shot noise as a probe of spin-polarized transport through single atoms

Burtzlaff, Andreas ; Weismann, Alexander ; Brandbyge, Mads ; Berndt, Richard
in: Physical Review Letters, vol: 114, issue: 1, pages: 016602

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1103/PhysRevLett.114.016602

  PDF

Simple and efficient way of speeding up transmission calculations with k-point sampling

Falkenberg, Jesper Toft ; Brandbyge, Mads
in: Beilstein Journal of Nanotechnology, vol: 6, pages: 1603-1608

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.3762/bjnano.6.164

  PDF

Spectroscopy of transmission resonances through a C60 junction

Schneider, N. L. ; Néel, N. ; Andersen, Nick Papior ; Lu, Jing Tao ; Brandbyge, Mads ; Kröger, J. ; Berndt, R.
in: Journal of Physics: Condensed Matter, vol: 27, issue: 1, pages: 015001

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1088/0953-8984/27/1/015001

  PDF

Unravelling the role of inelastic tunneling into pristine and defected graphene

Palsgaard, Mattias Lau Nøhr ; Andersen, Nick Papior ; Brandbyge, Mads
in: Physical Review B, vol: 91, issue: 12, pages: 121403

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2015     |    DOI: https://doi.org/10.1103/PhysRevB.91.121403

2014
  PDF

Comment on "Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set" [J. Chem. Phys. 139, 114104 (2013)]

Brandbyge, Mads
in: Journal of Chemical Physics, vol: 140, issue: 17, pages: 177103

Type: Comment/debate (Peer reviewed)

Status: Published     |    Year: 2014     |    DOI: https://doi.org/10.1063/1.4873696

 

Current-induced forces: a simple derivation

Todorov, Tchavdar N. ; Dundas, Daniel ; Lü, Jing-Tao ; Brandbyge, Mads ; Hedegård, Per
in: European Journal of Physics, vol: 35, issue: 6, pages: 065004

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2014     |    DOI: https://doi.org/10.1088/0143-0807/35/6/065004

  PDF

DFT-NEGF calculations of gated graphene nano-structures

Andersen, Nick Papior ; Gunst, Tue ; Stradi, Daniele ; Brandbyge, Mads
Presented at:
Graphene 2014

Type: Poster (Peer reviewed)

Status: Published     |    Year: 2014

  PDF

Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation

Lu, Jing Tao ; Christensen, Rasmus Bjerregaard ; Foti, Giuseppe ; Frederiksen, Thomas ; Gunst, Tue ; Brandbyge, Mads
in: Physical Review B, vol: 89, issue: 8

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2014     |    DOI: https://doi.org/10.1103/PhysRevB.89.081405

  PDF

Phonon scattering in graphene over substrate steps

Sevincli, Haldun ; Brandbyge, Mads
in: Applied Physics Letters, vol: 105, issue: 15, pages: 153108

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2014     |    DOI: https://doi.org/10.1063/1.4898066

  PDF

Re-implementation of TranSIESTA and N-terminal NEGF

Andersen, Nick Papior ; Brandbyge, Mads
Presented at:
International Conference on Trends in Nanotechnology

Type: Poster (Peer reviewed)

Status: Published     |    Year: 2014

2013
 

BioFET-SIM

Hediger, M. R. ; Martinez, K. L. ; Nygård, J. ; Brandbyge, Mads ; Jensen, J. H. ; De Vico, L.
part of: Nanoscale sensors, pages: 55-86, 2014, Springer

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2013

  PDF

Electronic and transport properties of kinked graphene

Rasmussen, Jesper Toft ; Gunst, Tue ; Bøggild, Peter ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Beilstein Journal of Nanotechnology, vol: 4, pages: 103-110

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013

 

Light emission and finite-frequency shot noise in molecular junctions: from tunneling to contact

Lu, Jing Tao ; Christensen, Rasmus Bjerregaard ; Brandbyge, Mads
in: Physical Review B, vol: 88, issue: 4

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: https://doi.org/10.1103/PhysRevB.88.045413

  PDF

Phonon excitation and instabilities in biased graphene nanoconstrictions

Gunst, Tue ; Lu, Jing Tao ; Hedegård, Per ; Brandbyge, Mads
in: Physical Review B, vol: 88, issue: 16, pages: 161401

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: https://doi.org/10.1103/PhysRevB.88.161401

 

Thermopower switching by magnetic field: first-principles calculations

Maslyuk, Volodymyr V. ; Achilles, Steven ; Sandratskii, Leonid ; Brandbyge, Mads ; Mertig, Ingrid
in: Physical Review B, vol: 88, issue: 8

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2013     |    DOI: https://doi.org/10.1103/PhysRevB.88.081403

2012
  PDF

Current-induced atomic dynamics, instabilities, and Raman signals

Lu, Jing Tao ; Brandbyge, Mads ; Hedegard, Per ; Todorov, Tchavdar N. ; Dundas, Daniel
in: Physical Review B Condensed Matter, vol: 85, issue: 24, pages: Paper 245444

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.1103/PhysRevB.85.245444

 

Light emission probing quantum shot noise and charge fluctuations at a biased molecular junction

Schneider, N.L. ; Lu, Jing Tao ; Brandbyge, M. ; Berndt, R.
in: Physical Review Letters, vol: 109, issue: 18

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.1103/PhysRevLett.109.186601

 

Nonequilibrium electron-vibration coupling and conductance fluctuations in a C-60 junction

Ulstrup, Soren ; Frederiksen, Thomas ; Brandbyge, Mads
in: Physical Review B Condensed Matter, vol: 86, issue: 24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.1103/PhysRevB.86.245417

 

Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60 junction

Ulstrup, Søren ; Frederiksen, Thomas ; Brandbyge, Mads
in: Physical Review B Condensed Matter, vol: 86, issue: 24, pages: 245417

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012

  PDF

Strong spin-filtering and spin-valve effects in a molecular V-C-60-V contact

Koleini, Mohammad ; Brandbyge, Mads
in: Beilstein Journal of Nanotechnology, vol: 3, pages: 589-596

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.3762/bjnano.3.69

 

Thermoelectric properties of disordered graphene antidot devices

Gunst, Tue ; Lu, Jing Tao ; Markussen, Troels ; Jauho, Antti-Pekka ; Brandbyge, Mads
part of: Proceedings of the 15th International Workshop on Computational Electronics, 2012
Presented at:
International Workshop on Computational Electronics

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2012

 

Transport Properties In Graphene Structures

Brandbyge, Mads
part of: Carbonhagen 2012, pages: 32, 2012
Presented at:
3rd Symposium on Graphene and Carbon Nanotubes

Type: Conference abstract in proceedings (Peer reviewed)

Status: Published     |    Year: 2012

 

Voltage-dependent conductance states of a single-molecule junction

Wang, Y F ; Néel, N ; Kröger, J ; Vázquez, H ; Brandbyge, M ; Wang, B ; Berndt, R
in: Journal of Physics: Condensed Matter, vol: 24, issue: 39

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.1088/0953-8984/24/39/394012

2011
  PDF

Current-induced dynamics in carbon atomic contacts

Lu, Jing Tao ; Gunst, Tue ; Brandbyge, Mads ; Hedegård, Per
in: Beilstein Journal of Nanotechnology, vol: 2, issue: 1, pages: 814-823

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.3762/bjnano.2.90

 

Laserlike Vibrational Instability in Rectifying Molecular Conductors

Lu, Jing Tao ; Hedegård, Per ; Brandbyge, Mads
in: Physical Review Letters, vol: 107, issue: 4, pages: 046801

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.1103/PhysRevLett.107.046801

 

Piezoresistance in p-type silicon revisited (vol 104, 023715, 2008)

Richter, Jacob ; Pedersen, Jesper Goor ; Brandbyge, Mads ; Thomsen, Erik Vilain ; Hansen, Ole
in: Journal of Applied Physics, vol: 110, issue: 3, pages: 039904

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.1063/1.3620495

 

Predicting and rationalizing the effect of surface charge distribution and orientation on nano-wire based FET bio-sensors

De Vico, L. ; Iversen, L. ; Sørensen, Martin Hedegård ; Brandbyge, Mads ; Nygard, J. ; Martinez, K.L. ; Jensen, J.H.
in: Nanoscale, vol: 3, issue: 9, pages: 3635-3640

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.1039/c1nr10316d

 

Quantifying signal changes in nano-wire based biosensors

De Vico, Luca ; Sørensen, Martin Hedegård ; Iversen, Lars ; Rogers, David M. ; Sørensen, Brian S. ; Brandbyge, Mads ; Nygård, Jesper ; Martinez, Karen L. ; Jensen, Jan H.
in: Nanoscale, vol: 3, issue: 2, pages: 706-717

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.1039/c0nr00442a

  PDF

Thermoelectric properties of finite graphene antidot lattices

Gunst, Tue ; Markussen, Troels ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Physical Review B Condensed Matter, vol: 84, issue: 15, pages: 155449

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2011     |    DOI: https://doi.org/10.1103/PhysRevB.84.155449

2010
 

Ab initio vibrations in nonequilibrium nanowires

Jauho, Antti-Pekka ; Engelund, Mads ; Markussen, T ; Brandbyge, Mads
in: Journal of Physics: Conference Series (Print), vol: 220, issue: 1, pages: 012010

Type: Journal article

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1088/1742-6596/220/1/012010

 

Atomic carbon chains as spin-transmitters: An ab initio transport study

Fürst, Joachim Alexander ; Brandbyge, Mads ; Jauho, Antti-Pekka
in: EPL, vol: 91, issue: 3, pages: 37002

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1209/0295-5075/91/37002

  PDF

Atomic-Scale Control of Electron Transport through Single Molecules

Wang, Y. F. ; Kroger, J. ; Berndt, R. ; Vázquez, Héctor ; Brandbyge, Mads ; Paulsson, Magnus
in: Physical Review Letters, vol: 104, issue: 17, pages: 176802

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1103/PhysRevLett.104.176802

 

Blowing the Fuse: Berry's Phase and Runaway Vibrations in Molecular Conductors

Lu, Jing Tao ; Brandbyge, Mads ; Hedegård, P.
in: Nano Letters, vol: 10, issue: 5, pages: 1657-1663

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1021/nl904233u

  PDF

Localized Edge Vibrations and Edge Reconstruction by Joule Heating in Graphene Nanostructures

Engelund, Mads ; Fürst, Joachim Alexander ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Physical Review Letters, vol: 104, issue: 3, pages: 036807

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1103/PhysRevLett.104.036807

 

Molecular Electronics: Insight from First-Principles Transport Simulations

Paulsson, Magnus ; Frederiksen, Thomas ; Brandbyge, Mads
in: Chimia, vol: 64, issue: 6, pages: 350-355

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.2533/chimia.2010.350

  PDF

Scattering cross section of metal catalyst atoms in silicon nanowires

Markussen, Troels ; Rurali, R. ; Cartoixa, X. ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Physical Review B Condensed Matter, vol: 81, issue: 12, pages: 125307

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1103/PhysRevB.81.125307

2009
 

Atomic waterwheels go to work

Brandbyge, Mads
in: Nature Nanotechnology, vol: 4, issue: 2, pages: 81-82

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1038/nnano.2008.413

  PDF

Atomistic theory for the damping of vibrational modes in monoatomic gold chains

Engelund, Mads ; Brandbyge, Mads ; Jauho, Antti-Pekka
in: Physical Review B Condensed Matter, vol: 80, issue: 4, pages: 045427

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevB.80.045427

 

Conductance of Alkanedithiol Single-Molecule Junctions: A Molecular Dynamics Study

Paulsson, Magnus ; Krag, Casper ; Frederiksen, Thomas ; Brandbyge, Mads
in: Nano Letters, vol: 9, issue: 1, pages: 117-121

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1021/nl802643h

 

Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine

Vazquez, Hector ; Jelinek, P. ; Brandbyge, Mads ; Jauho, Antti-Pekka ; Flores, F.
in: Applied Physics A: Materials Science & Processing, vol: 95, issue: 1, pages: 257-263

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1007/s00339-008-5022-0

  PDF

Density functional study of graphene antidot lattices: Roles of geometrical relaxation and spin

Fürst, Joachim Alexander ; Pedersen, Thomas Garm ; Brandbyge, Mads ; Jauho, Antti-Pekka
in: Physical Review B Condensed Matter, vol: 80, issue: 11, pages: 115117

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevB.80.115117

  PDF

Electron and phonon transport in silicon nanowires: Atomistic approach to thermoelectric properties

Markussen, Troels ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Physical Review B Condensed Matter, vol: 79, issue: 3, pages: 035415

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevB.79.035415

  PDF

Electronic properties of graphene antidot lattices

Fürst, Joachim Alexander ; Pedersen, Jesper Goor ; Flindt, C. ; Mortensen, Asger ; Brandbyge, Mads ; Pedersen, T.G. ; Jauho, Antti-Pekka
in: New Journal of Physics, vol: 11, pages: 095020

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1088/1367-2630/11/9/095020

  PDF

Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

Fürst, Joachim Alexander ; Hashemi, J. ; Markussen, Troels ; Brandbyge, Mads ; Jauho, Antti-Pekka ; Nieminen, R. M.
in: Physical Review B Condensed Matter, vol: 80, issue: 3, pages: 035427

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevB.80.035427

 

Exploring the Tilt-Angle Dependence of electron tunneling across Molecular junction of Self-Assembled Alkanethiols

Frederiksen, Thomas ; Munuera, C. ; Ocal, C. ; Brandbyge, Mads ; Paulsson, Magnus ; Sanchez-Portal, D. ; Arnau, A.
in: A C S Nano, vol: 3, issue: 8, pages: 2073-2080

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1021/nn9000808

  PDF

Passing Current through Touching Molecules

Schull, G. ; Frederiksen, Thomas ; Brandbyge, Mads ; Berndt, R.
in: Physical Review Letters, vol: 103, issue: 20, pages: 206803

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevLett.103.206803

 

Semiconducting III-V nanowires with nanogaps for molecular junctions: DFT transport simulations

Kallesøe, Christian ; Fürst, Joachim Alexander ; Mølhave, Kristian ; Bøggild, Peter ; Brandbyge, Mads
in: Nanotechnology, vol: 20, issue: 46

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1088/0957-4484/20/46/465401

  PDF

Surface-Decorated Silicon Nanowires: A Route to High-ZT Thermoelectrics

Markussen, Troels ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Physical Review Letters, vol: 103, issue: 5, pages: 055502

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1103/PhysRevLett.103.055502

2008
  PDF

Ab initio study of spin-dependent transport in carbon nanotubes with iron and vanadium adatoms

Fürst, Joachim Alexander ; Brandbyge, Mads ; Jauho, Antti-Pekka ; Stokbro, Kurt
in: Physical Review B Condensed Matter, vol: 78, issue: 19, pages: 195405

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2008     |    DOI: https://doi.org/10.1103/PhysRevB.78.195405

  PDF

Engineering piezoresistivity using biaxially strained silicon

Pedersen, Jesper Goor ; Richter, Jacob ; Brandbyge, Mads ; Thomsen, Erik Vilain ; Hansen, Ole
in: Applied Physics Letters, vol: 93, issue: 26, pages: 263501

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2008     |    DOI: https://doi.org/10.1063/1.3059557

 

Heat Conductance is Strongly Anisotropic for Pristine Silicon Nanowires

Markussen, Troels ; Jauho, Antti-Pekka ; Brandbyge, Mads
in: Nano Letters, vol: 8, issue: 11, pages: 3771

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2008     |    DOI: https://doi.org/10.1021/nl8020889

  PDF

Manipulating magnetism and conductance of an adatom-molecule junction on a metal surface: An ab initio study

Tao, Kun ; Stepanyuk, V.S. ; Bruno, P. ; Bazhanov, D.I. ; Maslyuk, V.V. ; Brandbyge, Mads ; Mertig, I.
in: Physical Review B Condensed Matter, vol: 78, issue: 1, pages: 014426

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2008     |    DOI: https://doi.org/10.1103/PhysRevB.78.014426

 

Modeling Transport in Ultrathin Si Nanowires: Charged versus Neutral Impurities

Rurali, Riccardo ; Markussen, Troels ; Suné, Jordi ; Brandbyge, Mads ; Jauho, Antti-Pekka
in: Nano Letters, vol: 8, issue: 9, pages: 2825

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2008     |    DOI: https://doi.org/10.1021/nl801409m