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1

Temperature and Dynamical Effects on the High-Pressure Cubic-Diamond ↔ β-Tin Phase Transition in Si and Ge

K. Gaál-Nagy, A. Bauer, M. Schmitt, K. Karch, P. Pavone, D. Strauch

Journal:

physica status solidi (b)

Year:

1999

Language:

english

File:

PDF, 227 KB

english, 1999

2

Ab initio absorption spectra of 3-tert-butylcyclohexene

Katalin Gaál-Nagy, Olivia Pulci, Giovanni Onida

Journal:

Comptes Rendus Physique

Year:

2009

Language:

english

File:

PDF, 1.72 MB

english, 2009

3

First-principles investigation of the vibrational properties of 3-tert-butylcyclohexene

Katalin Gaál-Nagy

Journal:

Central European Journal of Physics

Year:

2010

Language:

english

File:

PDF, 2.30 MB

english, 2010

4

All-optical determination of initial oxidation of Si(100) and its kinetics

N. Witkowski, K. Gaál-Nagy, F. Fuchs, O. Pluchery, A. Incze, F. Bechstedt, Y. Borensztein, G. Onida, R. Del Sole

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

5

Ab initio calculation of the vibrational modes of SiH4, H2SiO, Si10H16, and Si10H14O

Gaál-Nagy, Katalin, Canevari, Giulia, Onida, Giovanni

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 904 KB

english, 2008

6

Ab-initio study of the Imma phase in silicon

Katalin Gaál-Nagy, Dieter Strauch

Journal:

Computational Materials Science

Year:

2004

Language:

english

File:

PDF, 479 KB

english, 2004

7

Ab initio study of the enthalpy barriers of the high-pressure phase transition from the cubic-diamond to the β-tin structure of silicon and germanium

K. Gaál-Nagy, A. Bauer, P. Pavone, D. Strauch

Journal:

Computational Materials Science

Year:

2004

Language:

english

File:

PDF, 323 KB

english, 2004

8

Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT

Carlo Motta, Matteo Giantomassi, Marco Cazzaniga, Katalin Gaál-Nagy, Xavier Gonze

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 510 KB

english, 2010

9

Ab initio study of the high-pressure phase transition from the cubic-diamond to the β-tin structure of Si

K. Gaál-Nagy, M. Schmitt, P. Pavone, D. Strauch

Journal:

Computational Materials Science

Year:

2001

Language:

english

File:

PDF, 233 KB

english, 2001

10

-tin transition in Si and Ge under nonhydrostatic conditions

Gaál-Nagy, Katalin, Strauch, Dieter

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

11

Surface Reconstruction

Battaglia, Corsin, Gaál-Nagy, Katalin, Monney, Claude, Didiot, Clément, Schwier, Eike Fabian, Garnier, Michael Gunnar, Onida, Giovanni, Aebi, Philipp

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 2.82 MB

english, 2009

12

Molecular dynamics simulations of shock-compressed single-crystal silicon

Mogni, Gabriele, Higginbotham, Andrew, Gaál-Nagy, Katalin, Park, Nigel, Wark, Justin S.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

13

Imma →sh phase transitions in silicon and germanium

Gaál-Nagy, Katalin, Pavone, Pasquale, Strauch, Dieter

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 207 KB

english, 2004

14

Optical spectra and microscopic structure of the oxidized Si(100) surface: Combined in situ optical experiments and first principles calculations

Gaál-Nagy, Katalin, Incze, Andrei, Onida, Giovanni, Borensztein, Yves, Witkowski, Nadine, Pluchery, Olivier, Fuchs, Frank, Bechstedt, Friedhelm, Del Sole, Rodolfo

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 2.07 MB

english, 2009

15

, and sh phases of silicon from ab initio calculations

Gaál-Nagy, Katalin, Strauch, Dieter

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 283 KB

english, 2006

16

adatom-dimer-interstitial surface

Gaál-Nagy, K., Onida, G.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 1.13 MB

english, 2007

17

-point convergence

Gaál-Nagy, Katalin

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 565 KB

english, 2008

18

surface reconstruction investigated with first-principles density functional theory

Battaglia, Corsin, Onida, Giovanni, Gaál-Nagy, Katalin, Aebi, Philipp

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 556 KB

english, 2009

19

Valence band structure of the Si(331)-(12 × 1) surface reconstruction

Battaglia, Corsin, Fabian Schwier, Eike, Monney, Claude, Didiot, Clément, Mariotti, Nicolas, Gaál-Nagy, Katalin, Onida, Giovanni, Gunnar Garnier, Michael, Aebi, Philipp

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 570 KB

english, 2011

20

Elementary structural building blocks encountered in silicon surface reconstructions

C. Battaglia, K. Gaál-nagy, C. Monney, C. Didiot, E. F. Schwier, M. G. Garnier, G. Onida, P. Aebi

Year:

2009

Language:

english

File:

PDF, 1.17 MB

english, 2009