Moving towards nano-TCAD through multimillion atom quantum dot simulations matching experimental data Export

@article{citeulike:3935065, abstract = {Low-loss optical communication requires light sources at 1.5um wavelengths. Experiments showed without much theoretical guidance that InAs/GaAs quantum dots (QDs) may be tuned to such wavelengths by adjusting the In fraction in an InxGa1-xAs strain-reducing capping layer (SRCL). In this work systematic multimillion atom electronic structure calculations qualitatively and quantitatively explain for the first time available experimental data. The NEMO 3-D simulations treat strain in a 15 million atom system and electronic structure in a subset of \~{}9 million atoms using the experimentally given nominal geometries and without any further parameter adjustments the simulations match the nonlinear behavior of experimental data very closely. With the match to experimental data and the availability of internal model quantities significant insight can be gained through mapping to reduced order models and their relative importance. We can also demonstrate that starting from simple models has in the past led to the wrong conclusions. The critical new insight presented here is that the QD changes its shape. The quantitative simulation agreement with experiment without any material or geometry parameter adjustment in a general atomistic tool leads us to believe that the era of nano Technology Computer Aided Design (nano-TCAD) is approaching. NEMO 3-D will be released on nanoHUB.org where the community can duplicate and expand on the results presented here through interactive simulations.}, archivePrefix = {arXiv}, author = {Usman, Muhammad and Ryu, Hoon and Woo, Insoo and Ebert, David and Klimeck, Gerhard}, citeulike-article-id = {3935065}, citeulike-linkout-0 = {http://arxiv.org/abs/0812.3814}, citeulike-linkout-1 = {http://arxiv.org/pdf/0812.3814}, day = {19}, eprint = {0812.3814}, keywords = {nemoquantumsimulation}, month = {Dec}, posted-at = {2009-01-24 02:33:39}, priority = {2}, title = {Moving towards nano-TCAD through multimillion atom quantum dot simulations matching experimental data}, url = {http://arxiv.org/abs/0812.3814}, year = {2008} }

TY - JOUR ID - citeulike:3935065 L3 - citeulike-article-id:3935065 N2 - Low-loss optical communication requires light sources at 1.5um wavelengths. Experiments showed without much theoretical guidance that InAs/GaAs quantum dots (QDs) may be tuned to such wavelengths by adjusting the In fraction in an InxGa1-xAs strain-reducing capping layer (SRCL). In this work systematic multimillion atom electronic structure calculations qualitatively and quantitatively explain for the first time available experimental data. The NEMO 3-D simulations treat strain in a 15 million atom system and electronic structure in a subset of ~9 million atoms using the experimentally given nominal geometries and without any further parameter adjustments the simulations match the nonlinear behavior of experimental data very closely. With the match to experimental data and the availability of internal model quantities significant insight can be gained through mapping to reduced order models and their relative importance. We can also demonstrate that starting from simple models has in the past led to the wrong conclusions. The critical new insight presented here is that the QD changes its shape. The quantitative simulation agreement with experiment without any material or geometry parameter adjustment in a general atomistic tool leads us to believe that the era of nano Technology Computer Aided Design (nano-TCAD) is approaching. NEMO 3-D will be released on nanoHUB.org where the community can duplicate and expand on the results presented here through interactive simulations. TI - Moving towards nano-TCAD through multimillion atom quantum dot simulations matching experimental data KW - nemoquantumsimulation AU - Usman, Muhammad AU - Ryu, Hoon AU - Woo, Insoo AU - Ebert, David AU - Klimeck, Gerhard PY - 2008/Dec/19/ UR - http://arxiv.org/abs/0812.3814 ER -