Publications | Max Planck Institute for the Structure and Dynamics of Matter

Max Planck Institute for the Structure and Dynamics of Matter

Journal Article (664)

2016

Journal Article

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes

D. J. Mowbray, A. Pérez Paz, G. Ruiz-Soria, M. Sauer, P. Lacovig, M. Dalmiglio, S. Lizzit, K. Yanagi, A. Goldoni, P. Ayala, T. Pichler, A. Rubio

The Journal of Physical Chemistry C 120 (32), 18316–18322 (2016)

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Journal Article

The adiabatic limit of the exact factorization of the electron-nuclear wave function

F. G. Eich, F. Agostini

The Journal of Chemical Physics 145 (5), 054110 (2016)

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Journal Article

Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study

I. Kylänpää, F. Berardi, E. Räsänen, P. García-González, C. A. Rozzi, A. Rubio

New Journal of Physics 18 (8), 083014 (2016)

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Journal Article

Exact maps in density functional theory for lattice models

T. Dimitrov, H. Appel, J. I. Fuks, A. Rubio

New Journal of Physics 18 (8), 083004 (2016)

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Journal Article

Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy

A. Riss, A. P. Paz, S. Wickenburg, H.-Z. Tsai, D. G. D. Oteyza, A. J. Bradley, M. M. Ugeda, P. Gorman, H. S. Jung, M. F. Crommie, A. Rubio, F. R. Fischer

Nature Chemistry 8 (7), 678–683 (2016)

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Journal Article

Electronic Structure of Low-Dimensional Carbon π-Systems

J. M. Garcia-Lastra, I. Boukahil, R. Qiao, A. Rubio, F. J. Himpsel

The Journal of Physical Chemistry C 120 (23), 12362–12368 (2016)

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Journal Article

Improved ab initio calculation of surface second-harmonic generation from Si(111)(1×1):H

S. M. Anderson, N. Tancogne-Dejean, B. S. Mendoza, V. Véniard

Physical Review B 93 (23), 235304 (2016)

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Journal Article

Stable Dirac semimetal in the allotropes of group-IV elements

W. Cao, P. Tang, S.-C. Zhang, W. Duan, A. Rubio

Physical Review B 93 (24), 241117(R) (2016)

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supplementary-material

Journal Article

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory

I. Theophilou, N. N. Lathiotakis, N. Helbig

Journal of Chemical Theory and Computation 12 (6), 2668–2678 (2016)

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Journal Article

Confined linear carbon chains as a route to bulk carbyne

L. Shi, P. Rohringer, K. Suenaga, Y. Niimi, J. Kotakoski, J. C. Meyer, H. Peterlik, M. Wanko, S. Cahangirov, A. Rubio, Z. J. Lapin, L. Novotny, P. Ayala, T. Pichler

Nature Materials 15 (6), 634–639 (2016)

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Journal Article

On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment

B. F. Milne, C. Kjær, J. Houmøller, M. H. Stockett, Y. Toker, A. Rubio, S. B. Nielsen

Angewandte Chemie International Edition 55 (21), 6248–6251 (2016)

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Journal Article

The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties

E. Martínez-Periñán, A. de Juan, Y. Pouillon, C. Schierl, V. Strauss, N. Martín, A. Rubio, D. M. Guldi, E. Lorenzo, E. Pérez

Nanoscale 8 (17), 9254–9264 (2016)

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Journal Article

Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

J. Walkenhorst, U. De Giovannini, A. Castro, A. Rubio

European Physical Journal B 89 (5), 128 (2016)

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Journal Article

Theory of light-enhanced phonon-mediated superconductivity

M. A. Sentef, A. F. Kemper, A. Georges, C. Kollath

Physical Review B 93 (14), 144506 (2016)

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Journal Article

Bilayer SnS₂: Tunable stacking sequence by charging and loading pressure

C. Bacaksiz, S. Cahangirov, A. Rubio, R. T. Senger, F. M. Peeters, H. Sahin

Physical Review B 93 (12), 125403 (2016)

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Journal Article

Validity of power functionals for a homogeneous electron gas in reduced-density-matrix-functional theory

A. Putaja, F. G. Eich, T. Baldsiefen, E. Räsänen

Physical Review A 93 (3), 032503 (2016)

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Journal Article

Anisotropic electronic, mechanical, and optical properties of monolayer WTe₂

E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters

Journal of Applied Physics 119 (7), 074307 (2016)

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Journal Article

Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect

T. Brumme, M. Calandra, F. Mauri

Physical Review B 93 (8), 081407(R) (2016)

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supplementary-material

Journal Article

Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization

M. Casadei, X. Ren, P. Rinke, A. Rubio, M. Scheffler

Physical Review B 93 (7), 075153 (2016)

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Journal Article

Photoinduced Absorption within Single-Walled Carbon Nanotube Systems

L. N. Glanzmann, D. J. Mowbray, D. G. F. del Valle, F. Scotognella, G. Lanzani, A. Rubio

The Journal of Physical Chemistry C 120 (3), 1926–1935 (2016)

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