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1

First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

Gunst, Tue, Markussen, Troels, Stokbro, Kurt, Brandbyge, Mads

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 7.58 MB

english, 2016

2

Conductance eigenchannels in nanocontacts

Brandbyge, Mads, Sørensen, Mads R., Jacobsen, Karsten W.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 487 KB

english, 1997

3

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

Palsgaard, Mattias, Gunst, Tue, Markussen, Troels, Thygesen, Kristian Sommer, Brandbyge, Mads

Journal:

Year:

2018

Language:

english

File:

PDF, 2.03 MB

english, 2018

4

Computational nanoscience: Atomic waterwheels go to work

Brandbyge, Mads

Journal:

Nature Nanotechnology

Year:

2009

Language:

english

File:

PDF, 206 KB

english, 2009

5

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

Markussen, Troels, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 475 KB

english, 2009

6

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

De Vico, Luca, Iversen, Lars, Sørensen, Martin H., Brandbyge, Mads, Nygård, Jesper, Martinez, Karen L., Jensen, Jan H.

Journal:

Year:

2011

Language:

english

File:

PDF, 377 KB

english, 2011

7

Passing Current through Touching Molecules

Schull, Guillaume, Frederiksen, Thomas, Brandbyge, Mads, Berndt, Richard

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

8

Electronically driven adsorbate excitation mechanism in femtosecond-pulse laser desorption

Brandbyge, Mads, Hedegård, Per, Heinz, T. F., Misewich, J. A., Newns, D. M.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 593 KB

english, 1995

9

Scattering and conductance quantization in three-dimensional metal nanocontacts

Brandbyge, Mads, Jacobsen, Karsten W., Nørskov, Jens K.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 456 KB

english, 1997

10

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

Journal:

Year:

2017

Language:

english

File:

PDF, 27.22 MB

english, 2017

11

S iesta : Recent developments and applications

GarcÃa, Alberto, Papior, Nick, Akhtar, Arsalan, Artacho, Emilio, Blum, Volker, Bosoni, Emanuele, Brandimarte, Pedro, Brandbyge, Mads, CerdÃ¡, J. I., Corsetti, Fabiano, Cuadrado, RamÃ³n, Dikan, Vladim

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 10.19 MB

2020

12

Modeling of Inelastic Transport in One-Dimensional Metallic Atomic Wires

Thomas Frederiksen, Mads Brandbyge, Antti–Pekka Jauho, Nicolás Lorente

Journal:

Journal of Computational Electronics

Year:

2004

Language:

english

File:

PDF, 240 KB

english, 2004

13

Transport in silicon nanowires: role of radial dopant profile

Troels Markussen, Riccardo Rurali, Antti-Pekka Jauho, Mads Brandbyge

Journal:

Journal of Computational Electronics

Year:

2008

Language:

english

File:

PDF, 294 KB

english, 2008

14

TranSIESTA: A Spice for Molecular Electronics

KURT STOKBRO, JEREMY TAYLOR, MADS BRANDBYGE, PABLO ORDEJÓN

Journal:

Annals of the New York Academy of Sciences

Year:

2003

Language:

english

File:

PDF, 1.66 MB

english, 2003

15

Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

Sørensen, Mads, Brandbyge, Mads, Jacobsen, Karsten

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 314 KB

english, 1998

16

Transmission channels through Na and Al atom wire

Nobuhiko Kobayashi, Mads Brandbyge, Masaru Tsukada

Journal:

Surface Science

Year:

1999

Language:

english

File:

PDF, 253 KB

english, 1999

17

Scaling Theory Put into Practice: First-Principles Modeling of Transport in Doped Silicon Nanowires

Markussen, Troels, Rurali, Riccardo, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 283 KB

english, 2007

18

Density-functional method for nonequilibrium electron transport

Brandbyge, Mads, Mozos, José-Luis, Ordejón, Pablo, Taylor, Jeremy, Stokbro, Kurt

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 1.19 MB

english, 2002

19

Thermoelectric properties of finite graphene antidot lattices

Gunst, Tue, Markussen, Troels, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 2.39 MB

english, 2011

20

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

Fürst, Joachim A., Pedersen, Thomas G., Brandbyge, Mads, Jauho, Antti-Pekka

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 358 KB

english, 2009

21

Do Aviram−Ratner Diodes Rectify?

Stokbro, Kurt, Taylor, Jeremy, Brandbyge, Mads

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 119 KB

english, 2003

22

[IEEE 2012 15th International Workshop on Computational Electronics (IWCE) - Madison, WI, USA (2012.05.22-2012.05.25)] 2012 15th International Workshop on Computational Electronics - Thermoelectric properties of disordered graphene antidot devices

Gunst, Tue, Lu, Jing-Tao, Markussen, Troels, Jauho, Antti-Pekka, Brandbyge, Mads

Year:

2012

Language:

english

File:

PDF, 1.23 MB

english, 2012

23

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

Fürst, Joachim A., Brandbyge, Mads, Jauho, Antti-Pekka, Stokbro, Kurt

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 361 KB

english, 2008

24

junction

Ulstrup, Søren, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 645 KB

english, 2012

25

Simulations of quantum transport in nanoscale systems: application to atomic gold and silver wires

Mozos, José Luis, Ordejón, Pablo, Brandbyge, Mads, Taylor, Jeremy, Stokbro, Kurt

Journal:

Year:

2002

Language:

english

File:

PDF, 203 KB

english, 2002

26

Inelastic Transport through Molecules: Comparing First-Principles Calculations to Experiments

Paulsson, Magnus, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Year:

2006

Language:

english

File:

PDF, 207 KB

english, 2006

27

Heat Conductance Is Strongly Anisotropic for Pristine Silicon Nanowires

Markussen, Troels, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Year:

2008

Language:

english

File:

PDF, 938 KB

english, 2008

28

Phonon excitation and instabilities in biased graphene nanoconstrictions

Gunst, Tue, Lü, Jing-Tao, Hedegård, Per, Brandbyge, Mads

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.58 MB

english, 2013

29

Unified Description of Inelastic Propensity Rules for Electron Transport through Nanoscale Junctions

Paulsson, Magnus, Frederiksen, Thomas, Ueba, Hiromu, Lorente, Nicolás, Brandbyge, Mads

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 1.11 MB

english, 2008

30

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

Paulsson, Magnus, Krag, Casper, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Year:

2009

Language:

english

File:

PDF, 986 KB

english, 2009

31

Modeling inelastic phonon scattering in atomic- and molecular-wire junctions

Paulsson, Magnus, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 226 KB

english, 2005

32

Efficient Organometallic Spin Filter between Single-Wall Carbon Nanotube or Graphene Electrodes

Koleini, Mohammad, Paulsson, Magnus, Brandbyge, Mads

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 1.46 MB

english, 2007

33

Conduction channels at finite bias in single-atom gold contacts

Brandbyge, Mads, Kobayashi, Nobuhiko, Tsukada, Masaru

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 284 KB

english, 1999

34

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

Lü, Jing-Tao, Brandbyge, Mads, Hedegård, Per

Journal:

Year:

2010

Language:

english

File:

PDF, 1.43 MB

english, 2010

35

Modeling Transport in Ultrathin Si Nanowires: Charged versus Neutral Impurities

Rurali, Riccardo, Markussen, Troels, Suñé, Jordi, Brandbyge, Mads, Jauho, Antti-Pekka

Journal:

Year:

2008

Language:

english

File:

PDF, 592 KB

english, 2008

36

Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet

Maslyuk, Volodymyr V., Bagrets, Alexei, Meded, Velimir, Arnold, Andreas, Evers, Ferdinand, Brandbyge, Mads, Bredow, Thomas, Mertig, Ingrid

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 661 KB

english, 2006

37

Theory of Rectification in Tour Wires: The Role of Electrode Coupling

Taylor, Jeremy, Brandbyge, Mads, Stokbro, Kurt

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 193 KB

english, 2002

38

Current-induced forces: a simple derivation

Todorov, Tchavdar N, Dundas, Daniel, Lü, Jing-Tao, Brandbyge, Mads, Hedegård, Per

Journal:

European Journal of Physics

Year:

2014

Language:

english

File:

PDF, 396 KB

english, 2014

39

Scattering cross section of metal catalyst atoms in silicon nanowires

Markussen, Troels, Rurali, Riccardo, Cartoixà, Xavier, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

40

Transmission eigenchannels from nonequilibrium Green’s functions

Paulsson, Magnus, Brandbyge, Mads

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

41

Electronic transport through Si nanowires: Role of bulk and surface disorder

Markussen, Troels, Rurali, Riccardo, Brandbyge, Mads, Jauho, Antti-Pekka

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 749 KB

english, 2006

42

Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach

Lü, Jing-Tao, Brandbyge, Mads, Hedegård, Per, Todorov, Tchavdar N., Dundas, Daniel

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

43

Erratum: Modeling inelastic phonon scattering in atomic- and molecular-wire junctions [Phys. Rev. B 72 , 201101(R) (2005)]

Paulsson, Magnus, Frederiksen, Thomas, Brandbyge, Mads

Journal:

Physical Review B

Year:

2007

File:

PDF, 23 KB

2007

44

Local density of states from transmission amplitudes in multichannel systems

Brandbyge, Mads, Tsukada, Masaru

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 148 KB

english, 1998

45

From tunneling to contact: Inelastic signals in an atomic gold junction from first principles

Frederiksen, Thomas, Lorente, Nicolás, Paulsson, Magnus, Brandbyge, Mads

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 284 KB

english, 2007

46

Origin of current-induced forces in an atomic gold wire: A first-principles study

Brandbyge, Mads, Stokbro, Kurt, Taylor, Jeremy, Mozos, José-Luis, Ordejón, Pablo

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 342 KB

english, 2003

47

Thermoelectrics

Markussen, Troels, Jauho, Antti-Pekka, Brandbyge, Mads

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 635 KB

english, 2009

48

Laserlike Vibrational Instability in Rectifying Molecular Conductors

Lü, Jing-Tao, Hedegård, Per, Brandbyge, Mads

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 917 KB

english, 2011

49

First-principles study of electron transport through monatomic Al and Na wires

Kobayashi, Nobuhiko, Brandbyge, Mads, Tsukada, Masaru

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 709 KB

english, 2000

50

Conductance switching in a molecular device: The role of side groups and intermolecular interactions

Taylor, Jeremy, Brandbyge, Mads, Stokbro, Kurt

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 523 KB

english, 2003