Publications

The Materials Theory Group Publications

Recent Publications

Time- and momentum-resolved probe of heat transport in photo-excited bismuth
J. Chen, M. Trigo, S. Fahy, É. D. Murray, Y. M. Sheu, T. Graber, R. Henning, Y. J. Chien, C. Uher and D. A. Reis,
Appl. Phys. Lett. 103, 181903 (2013)

Free-carrier relaxation and lattice heating in photoexcited bismuth
Y. M. Sheu, Y. J. Chien, C. Uher, S. Fahy, and D. A. Reis
Phys. Rev. B 87, 075429 (2013)

Optical Probing of Ultrafast Electronic Decay in Bi and Sb with Slow Phonons
J. J. Li, J. Chen, D. A. Reis, S. Fahy, and R. Merlin
Phys. Rev. Lett.110, 047401 (2013)

Giant piezoresistance in silicon-germanium alloys
F. Murphy-Armando and S. Fahy
Phys. Rev. B 86, 035205 (2012)

First-principles investigation of the alloy scattering potential in dilute Si1-xCx
M. P. Vaughan, F. Murphy-Armando, and S. Fahy
Phys. Rev. B 85, 165209 (2012)

Giant mobility enhancement in highly strained, direct gap Ge
F. Murphy-Armando and S. Fahy,
Ultimate Integration on Silicon (ULIS), 2011 12th Int. Conf. on, DOI:10.1109/ULIS.2011.5757987, (2011)

Alloy scattering of substitutional carbon in silicon: A first principles approach
M. P. Vaughan, F. Murphy-Armando and S. Fahy,
Ultimate Integration on Silicon (ULIS), 2011 12th Int. Conf. on, DOI:10.1109/ULIS.2011.5757983, (2011)

Analysis of band-anticrossing model in GaNAs near localised states
M. Seifikar, E.P. O'Reilly and S. Fahy,
Phys. Status Solidi B, 248, 1176 (2011)

Modelling and direct measurement of the density of states in GaAsN
M.P. Vaughan, S. Fahy, E.P. O'Reilly, L. Ivanova, H. Eisele and M. Däe,
Phys. Status Solidi B, 248, 1167 (2011)

Vibrational signature of the Si-N defect in Si-doped GaNxAs1-x
J. Buckeridge, S. O'Halloran, S. Fahy,
Solid State Commun. 150, 1967 (2010)

 

Journal Publications

Time- and momentum-resolved probe of heat transport in photo-excited bismuth
J. Chen, M. Trigo, S. Fahy, É. D. Murray, Y. M. Sheu, T. Graber, R. Henning, Y. J. Chien, C. Uher and D. A. Reis,
Appl. Phys. Lett. 103, 181903 (2013)

Free-carrier relaxation and lattice heating in photoexcited bismuth
Y. M. Sheu, Y. J. Chien, C. Uher, S. Fahy, and D. A. Reis
Phys. Rev. B 87, 075429 (2013)

Optical Probing of Ultrafast Electronic Decay in Bi and Sb with Slow Phonons
J. J. Li, J. Chen, D. A. Reis, S. Fahy, and R. Merlin
Phys. Rev. Lett.110, 047401 (2013)

Giant piezoresistance in silicon-germanium alloys
F. Murphy-Armando and S. Fahy
Phys. Rev. B 86, 035205 (2012)

First-principles investigation of the alloy scattering potential in dilute Si1-xCx
M. P. Vaughan, F. Murphy-Armando, and S. Fahy
Phys. Rev. B 85, 165209 (2012)

Analysis of band-anticrossing model in GaNAs near localised states
M. Seifikar, E.P. O'Reilly and S. Fahy,
Phys. Status Solidi B, 248, 1176 (2011)

Modelling and direct measurement of the density of states in GaAsN
M.P. Vaughan, S. Fahy, E.P. O'Reilly, L. Ivanova, H. Eisele and M. Däe,
Phys. Status Solidi B, 248, 1167 (2011)

Vibrational signature of the Si-N defect in Si-doped GaNxAs1-x
J. Buckeridge, S. O'Halloran, S. Fahy,
Solid State Commun. 150, 1967 (2010)

Direct measurement and analysis of the conduction band density of states in diluted GaAs1-xNx alloys
L. Ivanova, H. Eisele, M. P. Vaughan, Ph. Ebert, A. Lenz, R. Timm, O. Schumann, L. Geelhaar, M. Dahne, S. Fahy, H. Riechert, and E. P. O' Reilly,
Phys. Rev. B 82, 161201(R) (2010)

Nitrogen composition dependence of electron effective mass in GaAs1-xNx
T. Dannecker, Y. Jin, H. Cheng, C. F. Gorman, J. Buckeridge, C. Uher, S. Fahy, C. Kurdak and R.S. Goldman,
Phys. Rev. B 82, 125203 (2010)

Non-equilibrium phonon dynamics studied by grazing-incidence femtosecond X-ray crystallography
S. L. Johnson, P. Beaud, E. Vorobeva, C. J. Milne, É. D. Murray, S. Fahy and G. Ingold,
Acta Crystallogr. A 66, 157-167 (2010)

Comment on ''Directly Observing Squeezed Phonon States with Femtosecond X-Ray Diffraction'' Reply
S. L. Johnson, P. Beaud, E. Vorobeva, C. J. Milne, É. D. Murray, S. Fahy and G. Ingold,
Phys. Rev. Lett. 104, 029602 (2010)

Optical transitions in dilute GaNxAs1-x nitrides: A comparison between ab initio and empirical pseudopotentials
G. Stenuit and S. Fahy,
J. Phys. Chem. Solids 70, 769-777 (2009)

Observation of Insulating Nanoislands in Ferromagnetic GaMnAs
D. M. Wang, Y. H. Ren, P. W. Jacobs, S. Fahy, X. Liu, J. K. Furdyna, V. F. Sapega and R. Merlin,
Phys. Rev. Lett. 102, 256401 (2009)

Directly Observing Squeezed Phonon States with Femtosecond X-Ray Diffraction
S. L. Johnson, P. Beaud, E. Vorobeva, C. J. Milne, É. D. Murray, S. Fahy and G. Ingold,
Phys. Rev. Lett. 102, 175503 (2009)

Vibrational mode shifts as a measure of local strain in the dilute nitride semiconductor alloy GaNxAs1-x
J. Buckeridge, A. M. Teweldeberhan and S. Fahy,
Phys. Rev. B 79, 153201 (2009)

First-principles calculation of carrier-phonon scattering in n-type Si1-xGex alloys
F. Murphy-Armando and S. Fahy,
Phys. Rev. B 78, 035202 (2008)

Effect of nitrogen interactions on photoluminescence linewidth broadening in dilute nitride semiconductors
I. Bosa, D. McPeake and S. Fahy,
Phys. Rev. B 78, 245206 (2008)

Resonant Raman-active localized vibrational modes in AlyGa1-yNxAs1-x alloys: Experiment and first-principles calculations
A. M. Teweldeberhan, G. Stenuit, S. Fahy, et al
Phys. Rev. B 77, 155208 (2008)

Phonon spectra of the high-frequency modes in dilute nitride random GaNxAs1-x alloy
A. M. Teweldeberhan and S. Fahy,
Phys. Rev. B 77, 235216 (2008)

Resonant Raman study of local vibration modes in AlGaAsN layers
E. Gallardo, S. Lazic, J. M. Calleja, J. Miguel-Sanchez, M. Montes, A. Hierro, R. Gargallo-Caballero, A. Guzman, E. Munoz, A. M. Teweldeberhan and S. Fahy,
Physica E 40, 2084-2086 (2008)

Phonon dispersion relations and softening in photoexcited bismuth from first principles
É. D. Murray, S. Fahy, D. Prendergast, T. Ogitsu, D. M. Fritz and D. A. Reis,
Phys. Rev. B 75, 184301 (2007)

Ultrafast bond softening in bismuth: Mapping a solid's interatomic potential with X-rays
D. M. Fritz, D. A. Reis, B. Adams, R. A. Akre, J. Arthur, C. Blome, P. H. Bucksbaum, A. L. Cavalieri, S. Engemann, S. Fahy, et al,
Science 315, 633-636 (2007)

First-principles calculation of p-type alloy scattering in Si1-xGex
S. Joyce, F. Murphy-Armando, and S. Fahy,
Phys. Rev. B 75, 155201 (2007)

First-principles calculations of the mechanical and structural properties of GaNxAs1-x: Lattice and elastic constants
G. Stenuit and S. Fahy,
Phys. Rev. B 76, 035201 (2007)

First-principles calculation of alloy scattering in GexSi1-x
F. Murphy-Armando and S. Fahy,
Phys. Rev. Lett. 97, 096606 (2006)

Simulations of time-resolved x-ray diffraction in Laue geometry
B. Lings, J. S. Wark, M. F. DeCamp, D. A. Reis and S. Fahy,
J. Phys.: Condens. Matter 18, 9231-9244 (2006)

Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational Method Combined with Dynamic Simulations
Lucy Heady, Marivi Fernandez-Serra, Ricardo L. Mancera, Sian Joyce, Ashok R. Venkitaraman, Emilio Artacho, Chris-Kriton Skylaris, Lucio Colombi Ciacchi, and Mike C. Payne,
J. Med. Chem. 49, 5141-5153 (2006)

Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone
Robin K. Harris, Sian A. Joyce, Chris J. Pickard, Sylvian Cadars and Lyndon Emsley,
Phys. Chem. Chem. Phys. 8, 137 - 143 (2006)

Alloy scattering of n-type carriers in GaNxAs1-x
S. Fahy, A. Lindsay, H. Ouerdane, and E. P. O'Reilly,
Phys. Rev. B 74, 035203 (2006)

Effect of indium-nitrogen bonding on the localized vibrational mode in InyGa1-yNxAs1-x
A. M. Teweldeberhan  and  S. Fahy,
Phys. Rev. B 73, 245215 (2006)

Effect of lattice anharmonicity on high-amplitude phonon dynamics in photoexcited bismuth
É D. Murray, D. M. Fritz, J. K. Wahlstrand, S. Fahy, and D. A. Reis,
Phys. Rev. B 72, 060301 (2005)

Calculated pressure dependence of the localized vibrational mode of nitrogen in GaNxAs1-x
A. M. Teweldeberhan  and  S. Fahy,
Phys. Rev. B 72, 195203 (2005)

Theory of electron mobility in dilute nitride semiconductors
S. Fahy and E.P. O'Reilly,
Physica E 21, 881-885 (2004)

Detection of Rabi oscillations in a two-dimensional electron gas under ultrafast intersubband excitation
D. McPeake, F.T. Vasko and E.P. O'Reilly,
Semicond. Sci. Technol. 19, S279-S281 (2004)

Coherent Phonons: electronic softening or anharmonicity?
S. Fahy and D. A. Reis,
Phys. Rev. Lett. 93, 109701 (2004)

Intrinsic limits on electron mobility in disordered dilute niride semiconductor alloys
S. Fahy, A. Lindsay and E. P. O'Reilly,
IEE Proc., Optoelectron. 151, 352 (2004)

Theory of the electronic structure of dilute nitride alloys:beyond the band-anti-crossing model.
E. P. O'Reilly, A. Lindsay and S. Fahy,
J. Phys.:Condens. Matter 16, S3257-S3276 (2004).

Transient strain driven by a dense electron-hole plasma
M. F. deCamp, D. A. Reis, A. Cavalieri, P. H. Bucksbaum, R. Clarke, R. Merlin, E. M. Dufresne, D. A. Arms. A. Lindenberg, A. MacPhee, Z. Chang, B. Lings, J. S. Wark, and S. Fahy,
Phys. Rev. Lett. 91, 165502 (2003)

Intrinsic Limits on Electron Mobility in Dilute Nitride Semiconductors
S. Fahy and E. P. O'Reilly,
Appl. Phys. Lett. 83, 3731-3733 (2003)

 

Book Chapters

Hot Electron Transport
M. P. Vaughan,
Semiconductor Modeling Techniques
Springer Series in Materials Science 159
Springer Berlin Heidelberg (2012)

Tight-binding and k.p theory of dilute nitride alloys
E.P. O'Reilly, A. Lindsay and S. Fahy,
Physics and applications of dilute nitrides, ch. 3,
Optoelectronic properties of semiconductors and superlattices, Vol. 21,
Ed. Irina A. Buyanova and Weimin M. Chen,
Taylor & Francis Books Inc., New York (2004)

 

Conference Publications

Invited Talks

Quasi-localized states, electron scattering and carrier mobility in GaNAs,
S.B. Fahy,
APS March Meeting 2005, Los Angeles, USA.

Vortex matter and temperature dependence of the Ginzburg-Landau phenomenological lengths in lead nanowires,
G. Stenuit , S. Michotte, J. Govaerts and L. Piraux,
to be published in the NATO Science Series
Proceedings of the NATO Advanced Research Workshop Electron Correlations in New Materials and Nanosystems,
Yalta (Ukraine), September 19-23, 2005).

Energy minimization methods for Jastrow-Slater wavefunctions,
S. Fahy,
Workshop on Electronic Structure beyond Density Functional Theory,
July 2004 at Lorentz Center, Leiden, Holland.

The electronic structure of dilute nitride alloys: how robust is the band anti-crossing model?,
E.P. O'Reilly, A. Lindsay and S. Fahy,
The 20th General Conference of the Condensed Matter Division, European Physical Society, Prague, July 19-23, 2004

 

Contributed Papers

Giant mobility enhancement in highly strained, direct gap Ge
F. Murphy-Armando and S. Fahy,
Ultimate Integration on Silicon (ULIS), 2011 12th Int. Conf. on, DOI:10.1109/ULIS.2011.5757987, (2011)

Alloy scattering of substitutional carbon in silicon: A first principles approach
M. P. Vaughan, F. Murphy-Armando and S. Fahy,
Ultimate Integration on Silicon (ULIS), 2011 12th Int. Conf. on, DOI:10.1109/ULIS.2011.5757983, (2011)

First principles calculations of the scattering cross section of substitutional carbon in silicon
M P Vaughan and S Fahy,
J. Phys.: Conf. Ser., 242, 012003, (2010)

Calculation of the Phonon Lifetime of Photoexcited Bismuth,
É. D. Murray and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

Electronic transport in dilute GaAs:N,
G. Stenuit and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

First-principles calculation of phonon scattering of n-type carriers in SiGe alloys,
F. Murphy Armando and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

Mobility in SiGe alloys from first principles,
S. Joyce and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

Low temperature photoluminescence in the strongly disordered dilute nitride GaAsN,
I. Bosa, D. Mc Peake and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

Effect of indium on the localized vibrational mode of nitrogen in GaNxAs1-x. ,
A. M. Teweldeberhan and S. Fahy,
APS March Meeting, 2006, Baltimore, MD

Theory Of Electron Effective Mass And Mobility in Dilute Nitride Alloys
A. Lindsay, S. Fahy and E.P. O'Reilly,
AIP Conf. Proc. 772, 277 (2005)

Localization and exciton line-width broadening in the dilute nitride, GaNAs,
D. Mc Peake, I. Bosa, A. Lindsay, S. Fahy, E. P. O'Reilly,
APS March Meeting 2005, Los Angeles, USA

Calculation of phonon dispersion relations and softening in photo-excited bismuth,
É. D. Murray and S, Fahy
APS March Meeting 2005, Los Angeles, USA

First-principles calculation of alloy scattering of n-type carriers in SiGe,
F.Murphy-Amando and S.Fahy,
APS March Meeting 2005, Los Angeles, USA

Velocity dependence of friction during relative sliding motion of finite concentric carbon nanotubes,
P, Tangney, S. Fahy, M.L. Cohen and S.G. Louie,
APS March Meeting 2005, Los Angeles, USA

Calculation of temperature dependence of electron mobility in dilute nitride alloys,
S. Fahy, E. P. O'Reilly and A. Lindsay,
APS March Meeting 2004, Montreal

Ultrafast x-ray study of electron-hole plasma diffusion,,
D. Reis, P. Bucksbaum, A. Cavalieri, R. Clarke, M. DeCamp, E. Dufresne, R. Merlin, D. Arms, A. Lindenberg, A. MacPhee, Z. Chang, B. Lings, J. Wark and S. Fahy
APS March Meeting 2004, Montreal

Calculation of coherent phonon frequency and amplitude in photo-excited bismuth,,
É. D. Murray and S. Fahy
APS March Meeting 2004, Montreal

Theory of exciton linewidth broadening and reduced mobility in GaNAs alloys,
D. Mc Peake, I. Bosa, A. Lindsay, S. Fahy, E. P. O'Reilly,
MSS12 Albuquerque NM, 2005.

Calculation of coherent phonon frequency and amplitude in photo-excited bismuth,
É. D. Murray, S. Fahy and D. A. Reis,
(poster presentation)
Ultra-fast X-ray Conference, April 2004, San Diego.

Intrinsic limits on electron mobility in disordered dilute nitride semiconductor alloys,
S. Fahy, A. Lindsay and E. P. O'Reilly,
European Materials Research Society (E-MRS), Spring Meeting 2004, Strasbourg, May 2004.

Calculation of coherent phonon frequency and amplitude in photo-excited bismuth,
É. D. Murray and S. Fahy,
Flagstaff, Arizona, July 26-30, 2004.

Temperature dependence of electron mobility in dilute nitride semiconductors,
S. Fahy, E. P. O'Reilly and A. Lindsay,
International Conference on the Physics of Semiconductors. July 2004. Flagstaff, USA.

Intrinsic limits on electron mobility in dilute nitride semiconductors,
S. Fahy and E.P. O'Reilly,
IoP Condensed Matter and Material Physics (CMMP) Conference, 6-9 April 2003, Belfast, UK.

Theory of electronic structure and gain properties of GaInNAs,
E.P. O'Reilly, S. Fahy, A. Lindsay and S. Tomic,
International Workshop on GaAs-based lasers for 1.3 - 1.5 m m wavelength range, 24-26 April 2003, Wroclaw University of Technology, Poland.

Theory of Electron Mobility in Dilute Nitride Semiconductors,
S. Fahy and E.P. O'Reilly,
The 11th International Conference on Modulated Semiconductor Structures (MSS11), 14-18 July 2003, Nara, Japan.

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