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atom-to-Device Explicit simulation
Environment for Photonics and
Electronics Nanostructures


DEEPEN Publications

"Atomistic simulation of random alloy fluctuations in InGaN/GaN nanowires", F. Sacconi, M. Auf der Maur,  A. Di Carlo, A. Pecchia, Proceedings of International Workshop on Computational Electronics (IWCE), (2014) http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6865835&tag=1
"Understanding peculiarities in the optoelectronic characteristics of light emitting diodes based on (In,Ga)N/GaN nanowires", M. Musolino, A. Tahraoui, F. Limbach, J. Lähnemann, U. Jahn, O. Brandt, L. Geelhaar, and H. Riechert,  Applied Physics Letters 105, 083505 (2014)  http://dx.doi.org/10.1063/1.4894241 http://arxiv.org/pdf/1410.3709  
"Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells", S. Schulz, M. A. Caro, C. Coughlan and E. P. O’Reilly, Physical Review B 91, 035439 (2015) http://dx.doi.org/10.1103/PhysRevB.91.035439 http://arxiv.org/abs/1501.05482​
"Atomistic description of wave function localization effects in InxGa1-xN alloys and quantum wells", S. Schulz, O. Marquard, C Coughlan, M. A. Caro, O. Brandt and E. P. O’Reilly, Proc. SPIE 9357, 93570C (2015) http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=2208486
"Origin of nonlinear piezoelectricity in III-V semiconductors: Internal strain and bond ionicity from hybrid-functional density functional theory", M. A. Caro, S. Schulz and E. P. O’Reilly, Physical Review B 91, 075203 (2015) http://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.075203 http://arxiv.org/abs/1502.05489
"Band gap bowing and optical polarization switching in Al1-xGaxN alloys", C. Coughlan, S. Schulz, M. A. Caro and E. P. O’Reilly, Physica Status Solidi B 252, 879 (2015) http://onlinelibrary.wiley.com/doi/10.1002/pssb.201451593/abstract
"Deep level transient spectroscopy on light-emitting diodes based on (In,Ga)N/GaN nanowire ensembles", M. Musolino, M. Meneghini, L. Scarparo, C. De Santi, A. Tahraoui, L. Geelhaar, E. Zanoni, and H. Riechert, Proc. SPIE 9363, 936325 (2015) http://dx.doi.org/10.1117/12.2077438
"Ab-Initio Simulation of van der Waals MoTe2–SnS2 Heterotunneling FETs for Low-Power Electronics", A. Szabo, S. J. Koester, and M. Luisier, IEEE Electron Device Letters 36, 514-516 (2015) 10.1109/LED.2015.2409212
"Compositional bowing of band energies and their deformation potentials in strained InGaAs ternary alloys: a first-principles study", P.A. Khomyakov, M. Luisier, and A. Schen, Applied Physics Letters 107, 062104 (2015) http://arxiv.org/abs/1505.05659
"Stochastic model for the fluctuation-limited reaction-diffusion kinetics inhomogeneous media based on the nonlinear Smoluchowski equations", K K. Sabelfeld, O. Brandt, and V. Kaganer, Journal of Mathematical Chemistry 53, 651-659 (2015) http://dx.doi.org/10.1007/s10910-014-0446-6
"Structural, electronic, and optical properties of m-plane InGaN/GaN quantum wells: Insights from experiment and atomistic theory", S. Schulz, D. P. Tanner, E. P. O'Reilly, M. A. Caro, T. L. Martin, P. A. J. Bagot, M. P. Moody, F. Tang, J. T. Griffiths, F. Oehler, M. J. Kappers, R. A. Oliver, C. J. Humphreys, D. Sutherland, M. J. Davies, and P. Dawson, Phys. Rev. B 92, 235419 (2015) 10.1103/PhysRevB.92.235419
"Ab-initio simulation of single-and few-layer MoS2 transistors: Effect of electron-phonon scattering", A. Szabo, R. Rhyner, and M. Luisier, Phys. Rev. B 92, 035435 (2015) 10.1103/PhysRevB.92.035435
"Multiscale approach for the study of optoelectronic properties of InGaN/GaN nanowire light-emitting diodes", F. Sacconi, F. Panetta, M.  Auf der Maur, A. Di Carlo, A.Pecchia, M. Musolino, A. Tahraoui, L. Geelhaar, H. Riechert, IEEE Proceeding 15th International Conference on Nanotechnology (IEEE-NANO) , (2015) http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7388942
"Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers", M. Calderara, S. Brück, A. Pedersen, M. H. Bani-Hashemian, J. VandeVondele, and M. Luisier, Proceedings of the International  Conference for High Performance Computing, Networking, Storage and Analysis, ACM and IEEE, (2015) http://dl.acm.org/citation.cfm?doid=2807591.2807673
"A physical model for the reverse leakage current in (In,Ga)N/GaN light-emitting diodes based on nanowires", M. Musolino, D. v. Treeck, L. Scarparo, C. De Santi, M. Meneghini, E. Zanoni, L. Geelhaar, H. Riechert, Journal of Applied Physics, (2016) http://dx.doi.org/10.1063/1.4940949
"Radial Stark effect in (In,Ga)N nanowires", J. Lähnemann , P. Corfdir , F. Feix , J. Kamimura , T. Flissikowski , H. T. Grahn , L. Geelhaar , O. Brandt, Nano Letters, (2016) http://dx.doi.org/10.1021/acs.nanolett.5b03748
"Energies of the X- and L-valleys in In0.53Ga0.47As from electronic structure calculations", Gabriel Greene-Diniz, M. V. Fischetti and J. C. Greer, Journal of Applied Physics 055707 (2016) dx.doi.org/10.1063/1.4940740
"Individual electron and hole localization in submonolayer InN quantum sheets embedded in GaN", F. Feix, T. Flissikowski, C. Chèze, R. Calarco, H. T. Grahn, O. Brandt, Applied Physics Letters, 109, 042104 (2016), http://dx.doi.org/10.1063/1.4960006
"Strongly nonparabolic variation of the band gap in In x Al1− x N with low indium content", Vitaly Z Zubialevich, Duc V Dinh, Shahab N Alam, Stefan Schulz, Eoin P O’Reilly, Peter J Parbrook, Semiconductor Science and Technology, 31, 025006 (2016), http://dx.doi.org/10.1088/0268-1242/31/2/025006
"Random alloy fluctuations and structural inhomogeneities in c-plane In x Ga 1− x N quantum wells: theory of ground and excited electron and hole states", DSP Tanner, MA Caro, EP O'Reilly, S Schulz, RSC Advances, 6, 64513 (2016), http://dx.doi.org/10.1039/C6RA07540A
"The nature of carrier localisation in polar and nonpolar InGaN/GaN quantum wells", P Dawson, S Schulz, RA Oliver, MJ Kapper, CJ Humphreys, Journal of Applied Physics, 119, 181505 (2016), http://dx.doi.org/10.1063/1.4948237
"Atomistic analysis of the electronic structure of m‐plane InGaN/GaN quantum wells: Carrier localization effects in ground and excited states due to random alloy fluctuations", DP Tanner, MA Caro, EP O'Reilly, S Schulz, Physica Status Solidi B, 253, 853 (2016), http://dx.doi.org/10.1002/pssb.201552642
"Virtual crystal description of III-V semiconductor alloys in the tight binding approach", MO Nestoklon, R Benchamekh and P Voisin, Journal of Physics: Condensed Matter, 94 115310 (2016), http://dx.doi.org/10.1088/0953-8984/28/30/305801
"Spin splitting of electron states in lattice-mismatched (110)-oriented quantum wells", MO Nestoklon, SA Tarasenko, R Benchamekh and P Voisin, Physical Review B, 94, 115310 (2016), https://doi.org/10.1103/PhysRevB.94.115310https://doi.org/10.1103/PhysRevB.94.115310