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 果冻传媒 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, 鈥湽炒� 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 果冻传媒 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 果冻传媒 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. []