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1

Boron carbides from first principles

Vast, Nathalie, Sjakste, Jelena, Betranhandy, Emmanuel

Journal:

Journal of Physics Conference Series

Year:

2009

Language:

english

File:

PDF, 4.08 MB

english, 2009

2

turboEELS—A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville–Lanczos approach to time-dependent density-functional perturbation theory

Timrov, Iurii, Vast, Nathalie, Gebauer, Ralph, Baroni, Stefano

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 1.30 MB

english, 2015

3

Ultrafast relaxation dynamics of highly excited hot electrons in silicon

Tanimura, Hiroshi, Kanasaki, Jun'ichi, Tanimura, Katsumi, Sjakste, Jelena, Vast, Nathalie

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 1.51 MB

english, 2019

4

TDDFT from molecules to solids: The role of long-range interactions

Francesco Sottile, Fabien Bruneval, A. G. Marinopoulos, L. K. Dash, Silvana Botti, Valerio Olevano, Nathalie Vast, Angel Rubio, Lucia Reining

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 323 KB

english, 2005

5

Boron Carbide from a First Principles Analysis of NMR Spectra

Mauri, Francesco, Vast, Nathalie, Pickard, Chris J.

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 163 KB

english, 2001

6

Lattice Dynamics of α-Boron from ab-initio Calculation and Raman Scattering under High Pressure

Nathalie Vast, S. Baroni, G. Zerah, J. M. Besson, A. Polian, M. Grimsditch, J. C. Chervin

Journal:

physica status solidi (b)

Year:

1996

Language:

english

File:

PDF, 323 KB

english, 1996

7

Hydrodynamic Heat Transport Regime in Bismuth: A Theoretical Viewpoint

Markov, Maxime, Sjakste, Jelena, Barbarino, Giuliana, Fugallo, Giorgia, Paulatto, Lorenzo, Lazzeri, Michele, Mauri, Francesco, Vast, Nathalie

Journal:

Physical Review Letters

Year:

2018

Language:

english

File:

PDF, 615 KB

english, 2018

8

Effects of isotopic disorder on the Raman spectra of crystals: Theory and ab initio calculations for diamond and germanium

Vast, Nathalie, Baroni, Stefano

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

9

Superconductivity from doping boron icosahedra

Calandra, Matteo, Vast, Nathalie, Mauri, Francesco

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 163 KB

english, 2004

10

Breakdown of Herring's processes in cubic semiconductors for subterahertz longitudinal acoustic phonons

Markov, Maxime, Sjakste, Jelena, Vast, Nathalie, Legrand, Romain, Perrin, Bernard, Paulatto, Lorenzo

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.06 MB

english, 2018

11

intervalley scattering in GaAs under pressure

Sjakste, Jelena, Tyuterev, Valeriy, Vast, Nathalie

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 127 KB

english, 2006

12

Erratum: Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory [Phys. Rev. B 88 , 064301 (2013)]

Timrov, Iurii, Vast, Nathalie, Gebauer, Ralph, Baroni, Stefano

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 44 KB

english, 2015

13

Ab initio study of the effects of pressure and strain on electron-phonon coupling in IV and III-V semiconductors

Sjakste, Jelena, Vast, Nathalie, Jani, Hariom, Obukhov, Sergey, Tyuterev, Valeriy

Journal:

physica status solidi (b)

Year:

2013

Language:

english

File:

PDF, 137 KB

english, 2013

14

Local Field Effects in the Electron Energy Loss Spectra of Rutile

Vast, Nathalie, Reining, Lucia, Olevano, Valerio, Schattschneider, Peter, Jouffrey, Bernard

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 204 KB

english, 2002

15

Anharmonic coupling, thermal transport and acoustic wave attenuation in cubic semiconductors and bismuth.

Markov, Maxime, Sjakste, Jelena, Vast, Nathalie, Perrin, Bernard, Paulatto, Lorenzo

Journal:

Journal of Physics Conference Series

Year:

2020

File:

PDF, 720 KB

2020

16

Murnaghan’s equation of state for the electronic ground state energy

V.G. Tyuterev, Nathalie Vast

Journal:

Computational Materials Science

Year:

2006

Language:

english

File:

PDF, 390 KB

english, 2006

17

Effects of isotopic disorder on the Raman spectra of crystals: theory and ab initio calculations for diamond and germanium

Nathalie Vast, Stefano Baroni

Journal:

Computational Materials Science

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

18

Optical and Loss Spectra of Carbon Nanotubes: Depolarization Effects and Intertube Interactions

Marinopoulos, A. G., Reining, Lucia, Rubio, Angel, Vast, Nathalie

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 143 KB

english, 2003

19

Ab initio and semiempirical dielectric response of superlattices

Botti, Silvana, Vast, Nathalie, Reining, Lucia, Olevano, Valerio, Andreani, Lucio Claudio

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 221 KB

english, 2004

20

Effects of localization of the semicore density on the physical properties of transition and noble metals

Trinité, Virginie, Vast, Nathalie, Hayoun, Marc

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 792 KB

english, 2008

21

Thermoelectric transport properties of silicon: Toward an ab initio approach

Wang, Zhao, Wang, Shidong, Obukhov, Sergey, Vast, Nathalie, Sjakste, Jelena, Tyuterev, Valery, Mingo, Natalio

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 378 KB

english, 2011

22

zirconia

Dash, L. K., Vast, Nathalie, Baranek, Philippe, Cheynet, Marie-Claude, Reining, Lucia

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 346 KB

english, 2004

23

Mechanical properties of icosahedral boron carbide explained from first principles

Raucoules, Roman, Vast, Nathalie, Betranhandy, Emmanuel, Sjakste, Jelena

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 372 KB

english, 2011

24

Nanoscale mechanisms for the reduction of heat transport in bismuth

Markov, Maxime, Sjakste, Jelena, Fugallo, Giorgia, Paulatto, Lorenzo, Lazzeri, Michele, Mauri, Francesco, Vast, Nathalie

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 1.10 MB

english, 2016

25

Ab initio study of electron energy loss spectra of bulk bismuth up to 100 eV

Timrov, Iurii, Markov, Maxime, Gorni, Tommaso, Raynaud, Michèle, Motornyi, Oleksandr, Gebauer, Ralph, Baroni, Stefano, Vast, Nathalie

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 1.29 MB

english, 2017

26

Ab initio study of defective chains in icosahedral boron carbide B4C

Betranhandy, Emmanuel, Vast, Nathalie, Sjakste, Jelena

Journal:

Solid State Sciences

Year:

2012

Language:

english

File:

PDF, 623 KB

english, 2012

27

Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Γ valley of GaAs

Tanimura, Hiroshi, Kanasaki, Jun'ichi, Tanimura, Katsumi, Sjakste, Jelena, Vast, Nathalie, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 946 KB

english, 2016

28

Energy relaxation mechanism of hot-electron ensembles in GaAs: Theoretical and experimental study of its temperature dependence

Sjakste, Jelena, Vast, Nathalie, Barbarino, Giuliana, Calandra, Matteo, Mauri, Francesco, Kanasaki, Junichi, Tanimura, Hiroshi, Tanimura, Katsumi

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.66 MB

english, 2018

29

Simulation of electron energy loss spectra with the turboEELS and thermo_pw codes

Motornyi, Oleksandr, Raynaud, Michèle, Dal Corso, Andrea, Vast, Nathalie

Journal:

Journal of Physics Conference Series

Year:

2018

File:

PDF, 518 KB

2018

30

Exchange and Correlation Effects in Electronic Excitations of

Bruneval, Fabien, Vast, Nathalie, Reining, Lucia, Izquierdo, M., Sirotti, F., Barrett, N.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 300 KB

english, 2006

31

Ab initio Method for Calculating Electron-Phonon Scattering Times in Semiconductors: Application to GaAs and GaP

Sjakste, Jelena, Vast, Nathalie, Tyuterev, Valeriy

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 186 KB

english, 2007

32

Effect of self-consistency on quasiparticles in solids

Bruneval, Fabien, Vast, Nathalie, Reining, Lucia

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 333 KB

english, 2006

33

Electronic excitations: Ab initio calculations of electronic spectra and application to zirconia ZrO2, titania TiO2 and cuprous oxide Cu2O

L.K. Dash, Fabien Bruneval, Virginie Trinité, Nathalie Vast, Lucia Reining

Journal:

Computational Materials Science

Year:

2007

Language:

english

File:

PDF, 1.49 MB

english, 2007

34

Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory

Botti, Silvana, Sottile, Francesco, Vast, Nathalie, Olevano, Valerio, Reining, Lucia, Weissker, Hans-Christian, Rubio, Angel, Onida, Giovanni, Del Sole, Rodolfo, Godby, R. W.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 201 KB

english, 2004

35

Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method

Motornyi, Oleksandr, Vast, Nathalie, Timrov, Iurii, Baseggio, Oscar, Baroni, Stefano, Dal Corso, Andrea

Journal:

Physical Review B

Year:

2020

File:

PDF, 854 KB

2020

36

Theoretical intrinsic lifetime limit of shallow donor states in silicon

Tyuterev, Valeriy, Sjakste, Jelena, Vast, Nathalie

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 272 KB

english, 2010

37

Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory

Timrov, Iurii, Vast, Nathalie, Gebauer, Ralph, Baroni, Stefano

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

38

Carbon-rich icosahedral boron carbide designed from first principles

Jay, Antoine, Vast, Nathalie, Sjakste, Jelena, Duparc, Olivier Hardouin

Journal:

Applied Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

39

Superlattices

Botti, Silvana, Vast, Nathalie, Reining, Lucia, Olevano, Valerio, Andreani, Lucio Claudio

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 114 KB

english, 2002

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