Publications

Đ. Dangić, S. Fahy, and I. Savić, "Molecular dynamics simulation of the ferroelectric phase transition in GeTe: Displacive or order-disorder character", Physical Review B 106, 134113 (2022).

R. D'Souza, J. D. Querales-Flores, J. Cao, S. Fahy, and I. Savić, "Temperature induced band convergence, intervalley scattering, and thermoelectric transport in p-type PbTe", ACS Applied Energy Materials 5, 7260 (2022)

M. P. Jiang, S. Fahy, A. Hauber, É. D. Murray, I. Savić, C. Bray, J. N. Clark, T. Henighan, M. Kozina, A. M. Lindenberg, P. Zalden, M. Chollet, J. M. Glownia, M. C. Hoffmann, T. Sato, D. Zhu, O. Delaire, A. F. May, B. C. Sales, R. Merlin, M. Trigo, and D. A. Reis, "Observation of photo-induced plasmon–phonon coupling in PbTe via ultrafast x-ray scattering", Structural Dynamics 9, 024301 (2022)

J. Cao, Đ. Dangić, J. Cao, J. D. Querales-Flores, S. Fahy, and I. Savić, "Electron-phonon coupling and electronic thermoelectric properties of n-type PbTe driven near the soft-mode phase transition via lattice expansion", Physical Review B 104, 045202 (2021).

Đ. Dangić, O. Hellman, S. Fahy, and I. Savić, "The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe", Nature Partner Journal Computational Materials 7, 57 (2021).

Đ. Dangić, S. Fahy, and I. Savić, "Giant thermoelectric power factor in charged ferroelectric domain walls of GeTe with Van Hove singularities", Nature Partner Journal Computational Materials 6, 195 (2020).

R. D'Souza, J. Cao, J. D. Querales-Flores, S. Fahy, and I. Savić, "Electron-phonon scattering and thermoelectric transport in p-type PbTe from first principles", Physical Review B 102, 115204 (2020).

J. D. Querales-Flores, P. Aguado-Puente, Đ. Dangić, J. Cao, P. Chudzinski, T. N. Todorov, M. Grüning, S. Fahy, and I. Savić, "Towards temperature-induced topological phase transition in SnTe: A first-principles study", Physical Review B 101, 235206 (2020).

Đ. Dangić, É. D. Murray, S. Fahy, and I. Savić, "Structural and thermal transport properties of ferroelectric domain walls in GeTe from first principles", Physical Review B 101, 184110 (2020).

J. Cao, J. D. Querales-Flores, S. Fahy, and I. Savić, "Thermally induced band gap increase and high thermoelectric figure of merit of n-type PbTe", Materials Today Physics 12, 100172 (2020).

S. M. O'Mahony, F. Murphy-Armando, É. D. Murray, J. D. Querales-Flores, I. Savić, and S. Fahy, "Ultrafast relaxation of symmetry-breaking photo-induced atomic forces", Physical Review Letters 123, 087401 (2019).

J. D. Querales-Flores, J. Cao, S. Fahy, and I. Savić, "Temperature effects on the electronic band structure of PbTe from first principles", Physical Review Materials 3, 055405 (2019).

T. Abu Hamed et al., "Multiscale in modelling and validation for solar photovoltaics", EPJ Photovoltaics 9, 10 (2018).

J. Cao, J. D. Querales-Flores, A. R. Murphy, S. Fahy, and I. Savić, "Dominant electron-phonon scattering mechanisms in n-type PbTe from first principles", Physical Review B 98, 205202 (2018).

A. R. Murphy, F. Murphy-Armando, S. Fahy, and I. Savić, "Acoustic deformation potentials of n-type PbTe from first principles", Physical Review B 98, 085201 (2018).

Đ. Dangić, A. R. Murphy, É. D. Murray, S. Fahy, and I. Savić, "Coupling between acoustic and soft transverse optical phonons leads to negative thermal expansion of GeTe near the ferroelectric phase transition", Physical Review B 97, 224106 (2018).

R. M. Murphy, É. D. Murray, S. Fahy, and I. Savić, "Ferroelectric phase transition and the lattice thermal conductivity of Pb1-xGexTe Alloys", Physical Review B 95, 144302 (2017).

M. P. Jiang, M. Trigo, I. Savić, S. Fahy, É. D. Murray, C. Bray, J. Clark, T. Henighan, M. Kozina, M. Chollet, J. M. Glownia, M. C. Hoffmann, D. Zhu, O. Delaire, A. F. May, B. C. Sales, A. M. Lindenberg, P. Zalden, T. Sato, R. Merlin, "The origin of incipient ferroelectricity in lead telluride", Nature Communications 7, 12291 (2016).

R. M. Murphy, É. D. Murray, S. Fahy, and I. Savić, "Broadband phonon scattering in PbTe-based materials driven near the ferroelectric phase transition by strain or alloying", Physical Review B 93, 104304 (2016).

L. F. C. Pereira, I. Savić, and D. Donadio, “Thermal conductivity of one-, two-and three- dimensional sp(2) carbon”, New Journal of Physics 15, 105019 (2013).

I. Savić, D. Donadio, F. Gygi, and G. Galli, “Dimensionality and heat transportin Si-Ge superlattices”, Applied Physics Letters 102, 073113 (2013).

Y. He, I. Savić, D. Donadio, and G. Galli, “Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations”, Physical Chemistry Chemical Physics 14, 16209 (2012).

G. Pernot, M. Stoffel, I. Savić, F. Pezzoli, P. Chen, A. Jacquot, G. Savelli, J. Schumann, U. Denker, I. Mönch, C. Deneke, O. G. Schmidt, J. M. Rampnoux, S. Wang, M. Plissonnier, A. Rastelli, S. Dilhaire, and N. Mingo, “Precise control of thermal conductivity at the nanoscale via individual phonon scattering barriers”, Nature Materials, 9, 491 (2010).

D. A. Stewart, I. Savić and N. Mingo, “First-principles calculation of the isotope effect on boron nitride nanotube thermal conductivity”, Nano Letters 9, 81 (2009).

I. Savić, D. A. Stewart, and N. Mingo, “Thermal conduction mechanisms in boron-nitride nanotubes: Few-shell versus all-shell conduction”, Physical Review B 78, 235434 (2008).

I. Savić, N. Mingo, and D. A. Stewart, “Phonon transport in isotope-disordered carbon and boron-nitride nanotubes: Is localization observable?”, Physical Review Letters 101, 165502 (2008).

I. Savić and N. Vukmirović, “Intraband magneto-optical properties of magnetic quantum dots”, Physical Review B 76, 245307 (2007).

I. Savić, N. Vukmirović, Z. Ikonić, D. Indjin, R. W. Kelsall, P. Harrison, and V. Milanović, “Density matrix theory of transport and gain in quantum cascade lasers in a magnetic field”, Physical Review B 76, 165310 (2007).

N. Vukmirović, Z. Ikonić, I. Savić, D. Indjin, and P. Harrison, “A microscopic model of electron transport in quantum dot photodetectors”, Journal of Applied Physics 100, 074502 (2006).

I. Savić, Z. Ikonić, N. Vukmirović, D. Indjin, P. Harrison, and V. Milanović, “Design of a ZnMnSe/ZnMgSe spin-polarized terahertz quantum cascade laser tun-able by magnetic field”, Applied Physics Letters 89, 011109 (2006).

I. Savić, Z. Ikonić, V. Milanović, N. Vukmirović, V. D. Jovanović, D. Indjin, and P. Harrison, “Electron transport in quantum cascade lasers in a magnetic field”, Physical Review B 73, 075321 (2006).

I. Savić, V. Milanović, N. Vukmirović, V. D. Jovanović, Z. Ikonić, D. Indjin, and P. Harrison, “Magnetic field tunable terahertz quantum well infrared photodetector”, Journal of Applied Physics 98, 084509 (2005).

I. Savić, V. Milanović, Z. Ikonić, D. Indjin, V. D. Jovanović, and P. Harrison, “Diluted magnetic semiconductor quantum-well structures for magnetic field tun-able far-infrared/terahertz absorption”, IEEE Journal of Quantum Electronics 40, 1614 (2004).

P. Harrison, D. Indjin, I. Savić, Z. Ikonić, C. A. Evans, N. Vukmirović, R. W. Kelsall, J. McTavish, V. D.Jovanović, and V. Milanović, “On the coher-ence/incoherence of electron transport in semiconductor heterostructure optoelec-tronic devices”, Proceedings of SPIE 6909, 690912 (2008).

I. Savić, Z. Ikonić, N. Vukmirović, D. Indjin, P. Harrison, and V. Milanović, “Lasing in spin-polarized terahertz quantum cascade structures”, Physica Status Solidi C 3, 4401 (2007).

N. Vukmirović, Z. Ikonić, I. Savić, D. Indjin, and P. Harrison, “Theoretical modeling of electron transport in InAs/GaAs quantum dot superlattices”, Physica Status Solidi C 3, 3770 (2006).

I. Savić, P. Harrison, V. Milanović, D. Indjin, Z. Ikonić, and V. D. Jovanović, “Quantum cascade lasers in magnetic field: An active region model”, Physica Status Solidi B 242, 1812 (2005).

P. Harrison, D. Indjin, V. Jovanović, A. Mircetić, Z. Ikonić, R. W. Kelsall, J. P. McTavish, I. Savić, N. Vukmirović, and V. Milanović, “A physical model of quantum cascade lasers: application to GaAs, GaN and SiGe devices”, Physica Status Solidi A 202, 980 (2005).

P. Harrison, D. Indjin, V. D. Jovanović, A. Mircetić, Z. Ikonić, R. W. Kelsall, J. P. McTavish, I. Savić, N. Vukmirović, and V. Milanović, “Carrier dynamics in quantum cascade lasers”, Acta Physica Polonica A 107, 75 (2005).

P. Harrison, V. D. Jovanović, M. Erić, N. Vukmirović, I. Savić, A. Mircetić, J. Radovanović, J. P. McTavish, C. Evans, Z. Ikonić, R. W. Kelsall, V. Milanović, and D. Indjin, “Physical model and scattering dynamics engineering for intersubband lasers and photodetectors”, Commad 04: 2004 Conference on Optoelectronic and Microelectronic Materials and Devices, Proceedings, 351 (2005).