Puschnig, Peter: search on Z-Library

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1

ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Monodeep Chakraborty, Jürgen Spitaler, Peter Puschnig, Claudia Ambrosch-Draxl

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 578 KB

english, 2010

2

noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

Dmitrii Nabok, Peter Puschnig, Claudia Ambrosch-Draxl

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 878 KB

english, 2011

3

Ab initio calculations of grain boundaries in bcc metals

Scheiber, Daniel, Pippan, Reinhard, Puschnig, Peter, Romaner, Lorenz

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

4

Light‐Assisted Charge Propagation in Networks of Organic Semiconductor Crystallites on Hexagonal Boron Nitride

Matković, Aleksandar, Genser, Jakob, Kratzer, Markus, Lüftner, Daniel, Chen, Zhongrui, Siri, Olivier, Puschnig, Peter, Becker, Conrad, Teichert, Christian

Journal:

Advanced Functional Materials

Year:

2019

Language:

english

File:

PDF, 2.63 MB

english, 2019

5

AB-INITIO STUDY ON THE EXCITON BINDING ENERGIES IN ORGANIC SEMICONDUCTORS

HUMMER, KERSTIN, PUSCHNIG, PETER, SAGMEISTER, STEPHAN, AMBROSCH-DRAXL, CLAUDIA

Journal:

Modern Physics Letters B

Year:

2006

Language:

english

File:

PDF, 586 KB

english, 2006

6

ElaStic: A tool for calculating second-order elastic constants from first principles

Golesorkhtabar, Rostam, Pavone, Pasquale, Spitaler, Jürgen, Puschnig, Peter, Draxl, Claudia

Journal:

Computer Physics Communications

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

7

Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory

Puschnig, Peter, Amiri, Peiman, Draxl, Claudia

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 726 KB

english, 2012

8

Spectroscopic STM studies of single pentacene molecules on

Gall, Johannes, Zeppenfeld, Peter, Sun, Lidong, Zhang, Li, Luo, Yang, Dong, Zhenchao, Hu, Chunguang, Puschnig, Peter

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

9

Thermal expansion coefficient of WRe alloys from first principles

Dengg, Thomas, Razumovskiy, Vsevolod, Romaner, Lorenz, Kresse, Georg, Puschnig, Peter, Spitaler, Jürgen

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.42 MB

english, 2017

10

Degeneracy Lifting of Adsorbate Orbitals Imaged by High-Resolution Momentum Microscopy

Graus, Martin, Metzger, Christian, Grimm, Manuel, Feyer, Vitaliy, Puschnig, Peter, Schöll, Achim, Reinert, Friedrich

Journal:

Journal of the Physical Society of Japan

Year:

2018

Language:

english

File:

PDF, 7.93 MB

english, 2018

11

thin film

Haag, Norman, LÃ¼ftner, Daniel, Haag, Florian, Seidel, Johannes, Kelly, Leah L., Zamborlini, Giovanni, Jugovac, Matteo, Feyer, Vitaliy, Aeschlimann, Martin, Puschnig, Peter, Cinchetti, Mirko, StadtmÃ¼

Journal:

Physical Review B

Year:

2020

File:

PDF, 1.64 MB

2020

12

Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles

Reyes-Huamantinco, Andrei, Puschnig, Peter, Ambrosch-Draxl, Claudia, Peil, Oleg E., Ruban, Andrei V.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 396 KB

english, 2012

13

Interchain interaction and Davydov splitting in polythiophene crystals: An ab initio approach

Bussi, Giovanni, Ruini, Alice, Molinari, Elisa, Caldas, Marilia J., Puschnig, Peter, Ambrosch-Draxl, Claudia

Journal:

Applied Physics Letters

Year:

2002

Language:

english

File:

PDF, 315 KB

english, 2002

14

Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene

Hummer, Kerstin, Puschnig, Peter, Ambrosch-Draxl, Claudia

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 608 KB

english, 2004

15

, 0.25, 0.5, 0.75, 1) alloys

Namjoo, Shirin, Rozatian, Amir S. H., Jabbari, Iraj, Puschnig, Peter

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

16

Density-functional study for the oligomers of poly( para -phenylene): Band structures and dielectric tensors

Puschnig, Peter, Ambrosch-Draxl, Claudia

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 393 KB

english, 1999

17

Elektronenorbitale in 3D

Koller, Georg, Puschnig, Peter, Gottwald, Alexander, Tautz, F. Stefan

Journal:

Physik in unserer Zeit

Year:

2016

Language:

german

File:

PDF, 924 KB

german, 2016

18

Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers

Hollerer, Michael, Lüftner, Daniel, Hurdax, Philipp, Ules, Thomas, Soubatch, Serguei, Tautz, Frank Stefan, Koller, Georg, Puschnig, Peter, Sterrer, Martin, Ramsey, Michael G.

Journal:

Year:

2017

Language:

english

File:

PDF, 2.79 MB

english, 2017

19

Understanding the photoemission distribution of strongly interacting two-dimensional overlayers

Lüftner, Daniel, Weiß, Simon, Yang, Xiaosheng, Hurdax, Philipp, Feyer, Vitaliy, Gottwald, Alexander, Koller, Georg, Soubatch, Serguei, Puschnig, Peter, Ramsey, Michael G., Tautz, F. Stefan

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.55 MB

english, 2017

20

Multi-orbital charge transfer at highly oriented organic/metal interfaces

Zamborlini, Giovanni, Lüftner, Daniel, Feng, Zhijing, Kollmann, Bernd, Puschnig, Peter, Dri, Carlo, Panighel, Mirko, Di Santo, Giovanni, Goldoni, Andrea, Comelli, Giovanni, Jugovac, Matteo, Feyer, Vit

Journal:

Nature Communications

Year:

2017

Language:

english

File:

PDF, 2.11 MB

english, 2017

21

alloy

Razumovskiy, Vsevolod I., Reyes-Huamantinco, Andrei, Puschnig, Peter, Ruban, A. V.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 699 KB

english, 2016

22

(012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study

Popov, Maxim N., Bochkarev, Anton S., Razumovskiy, Vsevolod I., Puschnig, Peter, Spitaler, Jürgen

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 1.34 MB

english, 2018

23

Structure Solution of the 6,13-Pentacenequinone Surface-Induced Polymorph by Combining X-ray Diffraction Reciprocal-Space Mapping and Theoretical Structure Modeling

Salzmann, Ingo, Nabok, Dmitrii, Oehzelt, Martin, Duhm, Steffen, Moser, Armin, Heimel, Georg, Puschnig, Peter, Ambrosch-Draxl, Claudia, Rabe, Jürgen P., Koch, Norbert

Journal:

Crystal Growth & Design

Year:

2011

Language:

english

File:

PDF, 4.39 MB

english, 2011

24

High pressure x-ray study on anthracene

Oehzelt, Martin, Heimel, Georg, Resel, Roland, Puschnig, Peter, Hummer, Kerstin, Ambrosch-Draxl, Claudia, Takemura, Kenichi, Nakayama, Atsuko

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 866 KB

english, 2003

25

Experimental and theoretical electronic structure of quinacridone

Lüftner, Daniel, Refaely-Abramson, Sivan, Pachler, Michael, Resel, Roland, Ramsey, Michael G., Kronik, Leeor, Puschnig, Peter

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

26

A momentum space view of the surface chemical bond

Berkebile, Stephen, Ules, Thomas, Puschnig, Peter, Romaner, Lorenz, Koller, Georg, Fleming, Alexander J., Emtsev, Konstantin, Seyller, Thomas, Ambrosch-Draxl, Claudia, Netzer, Falko P., Ramsey, Michae

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

27

Electronic, optical, and structural properties of oligophenylene molecular crystals under high pressure: An ab initio investigation

Puschnig, Peter, Hummer, Kerstin, Ambrosch-Draxl, Claudia, Heimel, Georg, Oehzelt, Martin, Resel, Roland

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 253 KB

english, 2003

28

Alternating chirality in the monolayer H2TPP on Cu(110)–(2 × 1)O

Wagner, Margareta, Puschnig, Peter, Berkebile, Stephen, Netzer, Falko P., Ramsey, Michael G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.17 MB

english, 2013

29

On the decoupling of molecules at metal surfaces

Yang, Xiaosheng, Krieger, Ina, Lüftner, Daniel, Weiß, Simon, Heepenstrick, Timo, Hollerer, Michael, Hurdax, Philipp, Koller, Georg, Sokolowski, Moritz, Puschnig, Peter, Ramsey, Michael G., Tautz, F. S

Journal:

Chemical Communications

Year:

2018

Language:

english

File:

PDF, 4.07 MB

english, 2018

30

Coexisting Charge States in a Unary Organic Monolayer Film on a Metal

Yang, Xiaosheng, Egger, Larissa, Fuchsberger, Jana, Unzog, Martin, Lüftner, Daniel, Hajek, Felix, Hurdax, Philipp, Jugovac, Matteo, Zamborlini, Giovanni, Feyer, Vitaliy, Koller, Georg, Puschnig, Peter

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 3.54 MB

2019

31

Photoisomerization for a molecular switch in contact with a surface

Henzl, Jörg, Puschnig, Peter, Ambrosch-Draxl, Claudia, Schaate, Andreas, Ufer, Boris, Behrens, Peter, Morgenstern, Karina

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 701 KB

english, 2012

32

Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants

Ules, Thomas, Lüftner, Daniel, Reinisch, Eva Maria, Koller, Georg, Puschnig, Peter, Ramsey, Michael G.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 2.12 MB

english, 2016

33

Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride

Matković, Aleksandar, Genser, Jakob, Lüftner, Daniel, Kratzer, Markus, Gajić, Radoš, Puschnig, Peter, Teichert, Christian

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.26 MB

english, 2016

34

On-surface nickel porphyrin mimics the reactive center of an enzyme cofactor

Zamborlini, Giovanni, Jugovac, Matteo, Cossaro, Albano, Verdini, Alberto, Floreano, Luca, Lüftner, Daniel, Puschnig, Peter, Feyer, Vitaliy, Schneider, Claus M.

Journal:

Chemical Communications

Year:

2018

Language:

english

File:

PDF, 1.97 MB

english, 2018

35

Predicting the electronic structure of weakly interacting hybrid systems: The example of nanosized peapod structures

Milko, Matus, Puschnig, Peter, Draxl, Claudia

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

36

Hot-electron lifetimes in metals: A combined ab initio calculation and ballistic electron emission spectroscopy analysis

Ladstädter, Florian, de Pablos, Pilar F., Hohenester, Ulrich, Puschnig, Peter, Ambrosch-Draxl, Claudia, de Andrés, Pedro L., García-Vidal, Francisco J., Flores, Fernando

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 263 KB

english, 2003

37

Synthesis and Combined Experimental and Theoretical Characterization of Dihydro-Tetraaza-Acenes

Kollmann, Bernd, Chen, Zhongrui, Lüftner, Daniel, Siri, Olivier, Puschnig, Peter

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 3.68 MB

english, 2018

38

Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations

Nabok, Dmitrii, Puschnig, Peter, Ambrosch-Draxl, Claudia, Werzer, Oliver, Resel, Roland, Smilgies, Detlef-M.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 290 KB

english, 2007

39

-conjugated organic molecular crystals: A first-principles study

Nabok, Dmitrii, Puschnig, Peter, Ambrosch-Draxl, Claudia

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 203 KB

english, 2008

40

Suppression of Electron-Hole Correlations in 3D Polymer Materials

Puschnig, Peter, Ambrosch-Draxl, Claudia

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 101 KB

english, 2002

41

Excitons in organic semiconductors

Peter Puschnig, Claudia Ambrosch-Draxl

Journal:

Comptes Rendus Physique

Year:

2009

File:

PDF, 740 KB

2009

42

Si-Ge superstructure from first principles

Ahmadpour Monazam, Mohammad Reza, Hingerl, Kurt, Puschnig, Peter

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 563 KB

english, 2013

43

CuPc/Au(110): Determination of the azimuthal alignment by a combination of angle-resolved photoemission and density functional theory

Lüftner, Daniel, Milko, Matus, Huppmann, Sophia, Scholz, Markus, Ngyuen, Nam, Wießner, Michael, Schöll, Achim, Reinert, Friedrich, Puschnig, Peter

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2014

Language:

english

File:

PDF, 2.35 MB

english, 2014

44

Organic Nanostructures: Light‐Assisted Charge Propagation in Networks of Organic Semiconductor Crystallites on Hexagonal Boron Nitride (Adv. Funct. Mater. 43/2019)

Matković, Aleksandar, Genser, Jakob, Kratzer, Markus, Lüftner, Daniel, Chen, Zhongrui, Siri, Olivier, Puschnig, Peter, Becker, Conrad, Teichert, Christian

Journal:

Advanced Functional Materials

Year:

2019

File:

PDF, 5.04 MB

2019

45

Gap plasmonics of silver nanocube dimers

Knebl, Dario, Hörl, Anton, Trügler, Andreas, Kern, Johannes, Krenn, Joachim R., Puschnig, Peter, Hohenester, Ulrich

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.14 MB

english, 2016

46

First-principles approach to the understanding of π-conjugated organic semiconductors

Peter Puschnig, Claudia Ambrosch-Draxl

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

47

The influence of interstitial carbon on the γ-surface in austenite

Hojjat Gholizadeh, Claudia Draxl, Peter Puschnig

Journal:

Acta Materialia

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

48

Epitaxy of Rodlike Organic Molecules on Sheet Silicates—A Growth Model Based on Experiments and Simulations

Simbrunner, Clemens, Nabok, Dmitrii, Hernandez-Sosa, Gerardo, Oehzelt, Martin, Djuric, Tatjana, Resel, Roland, Romaner, Lorenz, Puschnig, Peter, Ambrosch-Draxl, Claudia, Salzmann, Ingo, Schwabegger, G

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 4.53 MB

english, 2011

49

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

Ambrosch-Draxl, Claudia, Nabok, Dmitrii, Puschnig, Peter, Meisenbichler, Christian

Journal:

New Journal of Physics

Year:

2009

Language:

english

File:

PDF, 2.55 MB

english, 2009

50

Simulation of angle-resolved photoemission spectra by approximating the final state by a plane wave: From graphene to polycyclic aromatic hydrocarbon molecules

Puschnig, Peter, Lüftner, Daniel

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2015

Language:

english

File:

PDF, 5.13 MB

english, 2015

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