Publications
[83] D. Chakraborty, H. Karamitaheri, L. de Sousa Oliveira, and N. Neophytou. Effect of wave versus particle phonon nature in thermal transport through nanostructures. Computational Materials Science, 180, 109712 (2020). [][]
[82] Neophytos Neophytou, Samuel Foster, Vassilios Vargiamidis, Giovanni Pennelli, and Dario Narducci, 鈥楴anostructured potential well/barrier engineering for realizing unprecedentedly large thermoelectric power factors,鈥 MaterialsToday Physics, 11, 100159, 2019. [][][]
[81] Dhritiman Chakraborty, Joshua Brooke, Nick Hulse and Neophytos Neophytou, 鈥楾hermal rectification optimization in nanoporous Si using Monte Carlo simulations,鈥 Journal of Applied Physics 126, 184303 (2019). [][][]
[80] Patrizio Graziosi, Chathurangi Kumarasinghe, and Neophytos Neophytou, 鈥業mpact of the scattering physics on the power factor of complex thermoelectric materials鈥, Journal of Applied Physics 126, 155701 (2019).[][][]
[79] Laura de Sousa Oliveira, Vassillios Vargiamidis, and Neophytos Neophytou, 鈥楳odelling thermoelectric performance in nanoporous nanocrystalline silicon鈥 IEEE Transactions on Nanotechnology, 18, 896-903, 2019. [][]
[78] Vassilios Vargiamidis, Mischa Thesberg, and Neophytos Neophytou, 鈥楾heoretical model for the Seebeck coefficient in superlattice materials with energy relaxation,鈥 Journal of Applied Physics, 126, 055105 (2019). [][][]
[77] Laura de Sousa Oliveira and Neophytos Neophytou, 鈥楲arge-scale molecular dynamics investigation of geometrical features in nanoporous Si,鈥 Phys. Rev. B 100, 035409 (2019). [][][]
[76] Chathurangi Kumarasinghe and Neophytos Neophytou, 鈥楤and alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Co-based half-Heusler alloys,鈥 Phys. Rev. B 99, 195202 (2019). [- ][][]
[75] Samuel Foster* and Neophytos Neophytou, 鈥楨ffectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials鈥, Computational Materials Science, 164, 91-98, (2019). [][][]
[74] Dhritiman Chakraborty, Laure de Sousa Oliveira, and Neophytos Neophytou, 鈥楨nhanced Phonon Boundary Scattering at High Temperatures in Hierarchically Disordered Nanostructures鈥, Journal of Electronic Materials, Volume 48, Issue 4, pp 1909-1916, 2019. [][][]
[73] Vassilios Vargiamidis and Neophytos Neophytou, 鈥楬ierarchical nanostructuring approaches for thermoelectric materials with high power factors鈥, Phys. Rev. B 99, 045405, 2019. [][][]
[72] Samuel Foster and Neophytos Neophytou, 鈥楧oping optimization for the power factor of bipolar thermoelectric materials鈥, Journal of Electronic Materials, 2018. [][][]
[71] Davide Beretta, Neophytos Neophytou, James M. Hodges, Mercouri G. Kanatzidis, Dario Narducci, Marisol Martin-Gonzalez, Matt Beekman, Benjamin Balke, Giacomo Cerretti, Wolfgang Tremel, Alexandra Zevalkink, Anna I. Hofmann, Christian M眉ller, Bernhard D枚rling, Mariano Campoy-Quiles, Mario Caironi, 鈥楾hermoelectrics: from history, a window to the future,鈥 Materials Science and Engineering: R: Reports, accepted, 2018. []
[70] Dhritiman Chakraborty, Samuel Foster, and Neophytos Neophytou, Monte Carlo phonon transport simulations in hierarchically disordered silicon nanostructures鈥, Phys. Rev. B 98, 115435, 2018. [][][]
[69] Vassilios Vargiamidis, Samuel Foster, and Neophytos Neophytou, 鈥楾hermoelectric power factor in nanostructured materials with randomized nanoinclusions鈥, Phys. Status Solidi A, 1700997, 2018. [][][]
[68] Patrizio Grasiozi and Neophytos Neophytou, 鈥淪imulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds鈥, Journal of Applied Physics 123, 084503 (2018). [][][]
[67] Samuel Foster, Mischa Thesberg, and Neophytos Neophytou, 鈥楾hermoelectric power factor of nanocomposite materials from two-dimensional quantum transport simulations鈥, Phys. Rev. B, 96, 195425, 2017. [][][]
[66] Mischa Thesberg, Hans Kosina, and Neophytos Neophytou, 鈥極n the Lorenz number of multiband materials鈥, Phys. Rev. B 95, 125206, 2017. [][][]
[65] Mischa Thesberg, Hans Kosina, and Neophytos Neophytou,鈥橭n the effectiveness of the thermoelectric energy filtering mechanism in low-dimensional superlattices and nano-composites鈥, J. Appl. Phys. 120, 234302 (2016). [][][]
[64] Nick S. Bennett, Daragh Byrne, Aidan Cowley, and Neophytos Neophytou, 鈥淒islocation Loops as a Mechanism for Thermoelectric Power Factor Enhancement in Silicon Nano-Layers,鈥 Appl. Phys. Lett. 109, 173905 (2016). [][]
[63] Y. Lu, X. Wang, M. D. Higgins, A. Noel, N. Neophytou, M. Leeson, 鈥淓nergy Requirements of Error Correction Codes in Diffusion-Based Molecular Communication Systems,鈥 Nano Communication Networks, , March 2017, Pages 24-35. [][]
[62] J. A. P.-Taborda, M. M.-Rojo, J. Maiz, N. Neophytou, M. M. Gonz谩lez, 鈥淯ltra-low thermal conductivities in large-area Si-Ge nanomeshes for thermoelectric applications,鈥 Nature Sci. Rep., 6, 32778, 2016. [][]
[61] Hossein Karamitaheri and Neophytos Neophytou, 鈥淥n the channel width-dependence of the thermal conductivity in ultra-narrow graphene nanoribbons,鈥 Appl. Phys. Lett. 109, 063102 (2016). [][][l]
[60] Hossein Karamitaheri and Neophytos Neophytou, 鈥淧honon transport effects in one-dimensional width-modulated graphene nanoribbons,鈥 J. Appl. Phys. 119, 244302 (2016). [][][]
[59] Neophytos Neophytou and Hossein Karamitaheri, 鈥淧honon transport simulations in low-dimensional, disordered graphene nanoribbons,鈥 IEEE Transactions in Nanotechnology, vol. 15, issue 3, pp. 339 – 347, 2016. [][]
[58] N. Neophytou and M. Thesberg, 鈥淢odulation doping and energy filtering as effective ways to improve the thermoelectric power factor,鈥 J. Computational Electronics, Volume 15, Issue 1, pp 16-26, 2016 (Invited paper). [][]
[57] M. Thesberg, M. Pourfath, H. Kosina, and N. Neophytou, 鈥淭he influence of non-idealities on the thermoelectric power factor of nanostructured superlattices,鈥 J. Appl. Phys. 118, 224301 (2015). [][][]
[56] M. Thesberg, M. Pourfath, N. Neophytou, H. Kosina, 鈥淭he fragility of thermoelectric power factor in cross-plane superlattices in the presence of non-idealities: A quantum transport simulation approach,鈥 J. Electronic Materials, Volume 45, pp 1584-1588, 2015. [][]
[55] Hossein Karamitaheri, Mahdi Pourfath, Hans Kosina, and Neophytos Neophytou, 鈥淟ow-dimensional phonon transport effects in ultra-narrow, disordered graphene nanoribbons鈥, Phys. Rev. B 91, 165410, 2015. [][][]
[54] N. Neophytou, 鈥淧rospects of low-dimensional and nanostructured silicon-based thermoelectric materials: Findings from theory and simulation鈥, European Physical Journal B, (invited paper), Volume 88, 86, 2015. [][]
[53] N. Neophytou, H. Karamitaheri, and H. Kosina, 鈥淔ield-effect density modulation in Si nanowires for increasing ZT: A simulation study鈥, J. Electronic Materials, Volume 44, Issue 6, pp 1599-1605, 2015. [][]
[52] Neophytos Neophytou and Hans Kosina, 鈥淕ated Si nanowires for large thermoelectric power factors鈥, Applied Physics Letters, 105, 073119 (2014). [][][]
[51] Stefanie Wolf, Neophytos Neophytou, Zlatan Stanojevic, and Hans Kosina, 鈥淢onte Carlo Simulations of Thermal Conductivity in Nanoporous Si Membranes鈥, Journal of Electronic Materials, October 2014, Volume 43, Issue 10, pp 3870-3875. [][]
[50] Stefanie Wolf, Neophytos Neophytou, and Hans Kosina, 鈥淭hermal conductivity of silicon nanomeshes: Effects of porosity and roughness鈥, J. Appl. Phys. 115, 204306, 2014. [][][]
[49] B. Lorenzi , D. Narducci, R. Tonini, S. Frabboni, G.C. Gazzadi, G. Ottaviani, N. Neophytou, X. Zianni, 鈥淧aradoxical enhancement of the power factor in polycrystalline silicon due to the formation of nanovoids,鈥 Journal of Electronic Materials, October 2014, Volume 43, Issue 10, pp 3812-3816. [][]
[48] Dario Narducci, Bruno Lorenzi, Xanthippi Zianni, Neophytos Neophytou, Stefano Frabboni, Gian Carlo Gazzadi, Alberto Roncaglia, and Francesco Suriano, 鈥淓nhancement of the power factor in two-phase silicon-boron nanocrystalline alloys鈥, Physica status solidi a, vol. 211, Issue 6, page 1255颅1258, 2014. [][]
[47] Hossein Karamitaheri, Neophytos Neophytou, and Hans Kosina, 鈥淎nomalous diameter dependence of thermal transport in ultra-narrow Si nanowires鈥, J. Appl. Phys. 115, 024302 (2014). [][][]
[46] Neophytos Neophytou, Xanthippi Zianni, Hans Kosina, Stefano Frabboni, Bruno Lorenzi, and Dario Narducci, 鈥淧ower factor enhancement by inhomogeneous distribution of dopants in two-phase nanocrystalline systems,鈥 Journal of Electronic Materials, Volume 43, Issue 6, pp 1896-1904, June 2014. [][]
[45] Neophytos Neophytou, Hossein Karamitaheri, and Hans Kosina, 鈥淎tomistic calculations of the electronic, thermal, and thermoelectric properties of ultra-thin Si layers,鈥 Journal of Computational Electronics, Volume 12, Issue 4, pp 611-622, 2013 (invited). [][]
[44] Hossein Karamitaheri, Neophytos Neophytou, and Hans Kosina, 鈥淯se of Atomistic Phonon Dispersion and Boltzmann Transport Formalism to Study the Thermal Conductivity of Narrow Si Nanowires,鈥 Journal of Electronic Materials, Volume 43, Issue 6, pp 1829-1836, 2014. [][]
[43] Neophytos Neophytou and Hans Kosina, 鈥淥ptimizing Thermoelectric Energy Filtering by Means of a Potential Barrier ,鈥 J. Appl. Phys., 114, 044315, 2013. [][][]
[42] Hossein Karamitaheri, Neophytos Neophytou, and Hans Kosina, 鈥淏allistic Phonon Transport in Ultra-Thin Silicon Layers: Effects of Confinement and Orientation,鈥 J. Appl. Phys. 113, 204305 (2013). [][][]
[41] K. Holland, N. Paydavosi, N. Neophytou, D. Kienle, and M. Vaidyanathan, 鈥淩F Performance Limits and Operating Physics Arising from the Lack of a Bandgap in Graphene Transistors,鈥 IEEE Transactions on Nanotechnology, vol. 12, issue. 4, pp. 566 – 577, 2013. []
[40] Neophytos Neophytou, Xanthippi Zianni, Hans Kosina, Stefano Frabboni, Bruno Lorenzi, and Dario Narducci, 鈥淪imultaneous increase in electrical conductivity and Seebeck coefficient in highly Boron-doped nanocrystalline Si,鈥 Nanotechnology 24 (2013) 205402. [][]
[39] Hossein Karamitaheri, Neophytos Neophytou, Mohsen Karami Taheri, Rahim Faez, and Hans Kosina, 鈥淐alculation of Confined Phonon Spectrum in Narrow Silicon Nanowires using the Valence Force Field Method,鈥 J. Electronic Materials, Volume 42, Issue 7 (2013), Page 2091-2097. [][][]
[38] N.Neophytou, X.Zianni, M. Ferri, A. Roncaglia, G.F. Cerofolini, and D. Narducci, 鈥淣anograin effects on the thermoelectric properties of poly-Si nanowires,鈥 J. Electronic Materials, Volume 42, Issue 7 (2013), Page 2393-2401. [][]
[37] Neophytos Neophytou, Oskar Baumgartner, Zlatan Stanojevic, and Hans Kosina, 鈥淏andstructure and Mobility Variations in p-type Silicon Nanowires under Electrostatic Gate Field,鈥 Solid State Electronics, Volume 90, Pages 44–50, December 2013. [][][]
[36] S. Ahmed, K. Holland, N. Paydavosi, C. Rogers, A. Alam, N. Neophytou, D. Kienle, M. Vaidyanathan, 鈥淚mpact of Effective Mass on the Scaling Behavior of the fT and fmax of III-V High-Electron-Mobility Transistors,鈥 IEEE Transactions on Nanotechnology, vol 11, no 6, pp. 1160 – 1173, 2012. []
[35] Neophytos Neophytou and Hans Kosina, 鈥 Large Thermoelectric Power Factor in p-type Si (110)/[110] Ultra-Thin-Layers Compared to Differently Oriented Channels,鈥 J. Appl. Phys., 112, 024305, 2012. [][][]
[34] Neophytos Neophytou and Hans Kosina, 鈥淏ias-Induced Hole Mobility Increase in Narrow [111] and [110] Si Nanowire Transistors,鈥 IEEE Electr. Dev. Lett., vol. 33, issue 5, pp. 652-654, 2012. [][]
[33] Hossein Karamitaheri, Neophytos Neophytou, Mahdi Pourfath, Rahim Faez, and Hans Kosina, 鈥淓ngineering Enhanced Thermoelectric Properties in Zigzag Graphene Nanoribbons,鈥 J. Appl. Phys. 111, 054501, 2012. [][][]
[32] Neophytos Neophytou and Hans Kosina, 鈥淣umerical study of the thermoelectric power factor in ultra-thin Si nanowires鈥, Journal of Computational Electronics, vol. 11, issue 1, page 29-44, 2012 (invited). [][][]
[31] Neophytos Neophytou and Hans Kosina, 鈥淥n the interplay between electrical conductivity and Seebeck coefficient in ultra-narrow silicon nanowires鈥, Journal of Electronic Materials, vol. 41, 6, 1305-1311, 2012. [][][]
[30] Neophytos Neophytou and Hans Kosina, 鈥淐onfinement-induced carrier mobility increase in nanowires by quantization of warped bands,鈥 Solid State Electronics, vol. 70, p. 81-91, 2012. [] []
[29] Hossein Karamitaheri, Neophytos Neophytou, Mahdi Pourfath, and Hans Kosina, 鈥淪tudy of Thermal Properties of Graphene-Based Structures Using the Force Constant Method鈥, Journal of Computational Electronics, Volume 11, Issue 1, pp 14-21, 2012 (invited). [][][]
[28] Neophytos Neophytou and Hans Kosina, 鈥淗ole mobility increase in ultra-narrow Si channels under strong (110) surface confinement,鈥 Applied Physics Letters, 99, 092110, 2011. [][][]
[27] Neophytos Neophytou and Hans Kosina, 鈥淎tomistic simulations of low-field mobility in Si nanowires: Influence of confinement and orientation,鈥 Physical Review B, 84, 085313, 2011. [][][]
[26] Neophytos Neophytou and Hans Kosina, 鈥淓ffects of confinement and orientation on the thermoelectric power factor of silicon nanowires,鈥 Physical Review B, Vol. 83, 245305, 2011. [][][]
[25] Neophytos Neophytou, Gerhard Klimeck, and Hans Kosina, 鈥淪ubband engineering for p-type silicon ultra-thin layers for increased carrier velocities: An atomistic analysis,鈥 J. Appl. Phys., vol. 109, p. 053721, 2011. [][][]
[24] Neophytos Neophytou and Hans Kosina, 鈥淭hermoelectric properties of ultra scaled silicon nanowires using the sp3d5s*-SO atomistic tight-binding model and Boltzmann transport,鈥 Journal of Electronic Materials, vol. 40, no. 5, pp. 753-758, 2011. [][][]
[23] Neophytos Neophytou and Hans Kosina, 鈥淟arge enhancement in hole velocity and mobility in p-type [110] and [111] silicon nanowires by cross section scaling: An atomistic analysis,鈥 Nano Lett., vol. 10, no. 12, pp. 4913-4919, 2010. [][][]
[22] Neophytos Neophytou, Sung Geun Kim, Gerhard Klimeck, and Hans Kosina, 鈥
On the Bandstructure Velocity and Ballistic Current of Ultra Narrow Silicon Nanowire Transistors as a Function of Cross Section Size, Orientation and Bias,鈥 J. Appl. Phys, vol. 107, p. 113701, 2010. [][][]
[21] Neophytos Neophytou, Martin Wagner, Hans Kosina, and Siegfried Selberherr, 鈥淎nalysis of Thermoelectric Properties of Scaled Silicon Nanowires Using an Atomistic Tight-Binding Model,鈥 Journal of Electronic Materials, vol. 39, no. 9, pp. 1902-1908, 2010 (From the special issue: International Conference on Thermoelectrics 2009). [][][]
[20] Neophytos Neophytou, Titash Rakshit, and Mark S. Lundstrom, 鈥淧erformance Analysis of 60nm gate length III-V InGaAs HEMTs: Simulations vs. experiments,鈥 IEEE Trans. Electr. Dev., vol. 56, no. 7, pp. 1377-1387, 2009. [][]
[19] Neophytos Neophytou and Gerhard Klimeck, 鈥淒esign Space for Low Sensitivity to Size Variations in [110] PMOS Nanowire Devices: The Implications of Anisotropy in the Quantization Mass,鈥 Nano Lett., vol. 9, no. 2, pp. 623-630, 2009. [][][]
[18] Neophytos Neophytou, Abhijeet Paul, and Gerhard Klimeck, 鈥淏andstructure effects in silicon nanowire hole transport,鈥 IEEE Trans. Nanotechnol. (Special issue on nanowire electronics), vol 7, no. 6, pp. 710-719, 2008 (Cover page). [][]
[17] Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck, 鈥淪imulations of nanowire transistors: Atomistic vs. effective mass models,鈥 Journ. Comp. Electr., vol. 7, no. 3, pp. 363-366, 2008. [][]
[16] Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck, 鈥淏andstructure effects in silicon nanowire electron transport,鈥 IEEE Trans. Electr. Dev.,vol. 55, no. 6, pp. 1286-1297, 2008. [][][]
[15] Yang Liu, Neophytos Neophytou, Tony Low, Gerhard Klimeck, and Mark S. Lundstrom, 鈥淎 Tight-binding Study of the Ballistic Injection Velocity for Ultra-thinbody SOI MOSFETs,鈥 IEEE Trans. Electr. Dev., vol. 55, no. 3, pp. 866-871, 2008. [][]
[14] Yang Liu, Neophytos Neophytou, Tony Low, Gerhard Klimeck, and Mark S. Lundstrom, 鈥淏and Structure Effects on the Performance of III-V Ultra-thin-body SOI MOSFETs,鈥 IEEE Trans. Electr. Dev., vol 55, no. 5, pp. 1116-22, 2008. [][]
[13] Gengchiau Liang, Neophytos Neophytou, Mark S. Lundstrom, and Dmitri Nikonov, 鈥淐omputational Study of Double-Gate Graphene Nano-Ribbon Transistors,鈥 Journ. Comp. Electr., vol. 7, no. 3, pp. 394-397, 2008. []
[12] Gengchiau Liang, Neophytos Neophytou, Mark S. Lundstrom, and Dmitri Nikonov, 鈥淐ontact effects in Graphene Nano-Ribbon Transistors,鈥 Nano Lett., 8(7), pp. 1819-1824, 2008. []
[11] Raseong Kim, Neophytos Neophytou, Abhijeet Paul, Gerhard Klimeck, and Mark S. Lundstrom, 鈥淒imensionality in metal-oxide-semiconductor field-effect transistors: A comparison of one-dimensional and two-dimensional ballistic transistors,鈥 Journal of Vacuum Science and Technology B, vol. 26, no. 4, pp. 1628-1631, 2008. [][]
[10] Shaikh Ahmed, Muhammad Usman, Marek Korkusinski, Neophytos Neophytou and Gerhard Klimeck, 鈥淎tomistic Simulation of Realistically Sized InAs/GaAs Quantum Dots: Impact of Long-Range Strain and Piezoelectricity,鈥 International Journal of Nanoscience and Nanotechnology, 2007. [link to IJNN]
[9] Neophytos Neophytou, Shaikh Ahmed and Gerhard Klimeck, 鈥淣on-Equilibrium Green鈥檚 Function (NEGF) Simulation of Metallic Carbon Nanotubes Including Vacancy Defects,鈥 Journal of Computational Electronics, vol. 6, no. 1-3, pp. 317-320, 2007. []
[8] Neophytos Neophytou, Shaikh Ahmed, and Gerhard Klimeck, 鈥淚nfluence of vacancies on Metallic Nanotube Transport Properties.鈥 Applied Physics Letters, 90, 182119, 2007. [][]
[7] Liang Gengchiau, Neophytos Neophytou, Dmitri Nikonov, and Mark Lundstrom, 鈥淧erformance Projections for Ballistic Graphene Nanoribbon Field-Effect Transistors,鈥 IEEE Transactions on Electron Devices, vol. 54, 4, pp. 677-682, 2007. [][]
[6] Gengchiau Liang, Neophytos Neophytou, Mark S. Lundstrom, and Dmitri Nikonov, 鈥淏allistic graphene nanoribbon metal-oxide-semiconductor field-effect transistors: A full real-space quantum transport simulation,鈥 J. Appl. Phys, 102, 054307, 2007. [][][]
[5] J. Guo, S. Koswatta, N. Neophytou, and M. Lundstrom 鈥淐arbon Nanotube Field-Effect Transistors,鈥 International Journal of High Speed Electronics and Systems, 16, 897, 2006 (invited). [][]
[4] S. Koswatta, N. Neophytou, D. Kienle, G. Fiori, and M. Lundstrom, 鈥淒ependence of DC characteristics of CNT-MOSFETs on bandstructure models,鈥 IEEE Transactions on Nanotechnology, vol. 5, no. 4, pp. 368-372, 2006. [][]
[3] Neophytos Neophytou, Jing Guo, and Mark Lundstrom, 鈥淭hree-Dimensional Electrostatic Effects of Carbon Nanotube Transistors,鈥 IEEE Transactions on Nanotechnology, vol. 5, no. 4, pp. 385-392, 2006. [][]
[2] Neophytos Neophytou, Diego Kienle, Eric Polizzi, and M. P. Anantram, 鈥淚nfluence of Defects in Nanotube Transistor Performance.鈥 Applied Physics Letters, 88, 242106, 2006. [][]
[1] Neophytos Neophytou, Jing Guo and Mark Lundstrom, 鈥3D-Electrostatics of Carbon Nanotube Field Effect Transistors鈥, Journal of Computational Electronics, vol. 3, pp. 277-280, 2004. []