Valence band effective-mass expressions in the sp 3 d 5 s* empirical tight-binding model applied to a Si and Ge parametrization TB Boykin, G Klimeck, F Oyafuso Physical Review B 69 (11), 115201, 2004 | 448 | 2004 |

Diagonal parameter shifts due to nearest-neighbor displacements in empirical tight-binding theory TB Boykin, G Klimeck, RC Bowen, F Oyafuso Physical Review B 66 (12), 125207, 2002 | 280 | 2002 |

Atomistic simulation of realistically sized nanodevices using NEMO 3-D—Part I: Models and benchmarks G Klimeck, SS Ahmed, H Bae, N Kharche, S Clark, B Haley, S Lee, ... IEEE Transactions on Electron Devices 54 (9), 2079-2089, 2007 | 259 | 2007 |

Development of a nanoelectronic 3-D (NEMO 3-D) simulator for multimillion atom simulations and its application to alloyed quantum dots G Klimeck, F Oyafuso, TB Boykin, RC Bowen, P von Allmen | 257 | 2002 |

Electronic properties of silicon nanowires Y Zheng, C Rivas, R Lake, K Alam, TB Boykin, G Klimeck IEEE transactions on electron devices 52 (6), 1097-1103, 2005 | 224 | 2005 |

Valley splitting in strained silicon quantum wells TB Boykin, G Klimeck, MA Eriksson, M Friesen, SN Coppersmith, ... Applied Physics Letters 84 (1), 115-117, 2004 | 176 | 2004 |

Si tight-binding parameters from genetic algorithm fitting G Klimeck, RC Bowen, TB Boykin, C Salazar-Lazaro, TA Cwik, A Stoica Superlattices and Microstructures 27 (2-3), 77-88, 2000 | 151 | 2000 |

Atomistic simulation of realistically sized nanodevices using NEMO 3-D—Part II: Applications G Klimeck, SS Ahmed, N Kharche, M Korkusinski, M Usman, M Prada, ... IEEE Transactions on Electron Devices 54 (9), 2090-2099, 2007 | 132 | 2007 |

Valley splitting in low-density quantum-confined heterostructures studied using tight-binding models TB Boykin, G Klimeck, M Friesen, SN Coppersmith, P von Allmen, ... Physical Review B 70 (16), 165325, 2004 | 131 | 2004 |

sp3s* Tight-binding parameters for transport simulations in compound semiconductors G Klimeck, RC Bowen, TB Boykin, TA Cwik Superlattices and Microstructures 27 (5-6), 519-524, 2000 | 125 | 2000 |

Electromagnetic coupling and gauge invariance in the empirical tight-binding method TB Boykin, RC Bowen, G Klimeck Physical Review B 63 (24), 245314, 2001 | 119 | 2001 |

Valley splitting in strained silicon quantum wells modeled with 2 miscuts, step disorder, and alloy disorder N Kharche, M Prada, TB Boykin, G Klimeck Applied Physics Letters 90 (9), 092109, 2007 | 116 | 2007 |

Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations TB Boykin, N Kharche, G Klimeck, M Korkusinski Journal of Physics: Condensed Matter 19 (3), 036203, 2007 | 114 | 2007 |

Tight-binding model for GaAs/AlAs resonant-tunneling diodes TB Boykin, JPA Van der Wagt, JS Harris Jr Physical Review B 43 (6), 4777, 1991 | 109 | 1991 |

Practical application of zone-folding concepts in tight-binding calculations TB Boykin, G Klimeck Physical Review B 71 (11), 115215, 2005 | 104 | 2005 |

Generalized eigenproblem method for surface and interface states: The complex bands of GaAs and AlAs TB Boykin Physical Review B 54 (11), 8107, 1996 | 101 | 1996 |

Brillouin-zone unfolding of perfect supercells having nonequivalent primitive cells illustrated with a Si∕ Ge tight-binding parameterization TB Boykin, N Kharche, G Klimeck Physical Review B 76 (3), 035310, 2007 | 87 | 2007 |

Dielectric response of molecules in empirical tight-binding theory TB Boykin, P Vogl Physical Review B 65 (3), 035202, 2001 | 78 | 2001 |

Improved fits of the effective masses at Γ in the spin-orbit, second-nearest-neighbor sp 3 s* model: Results from analytic expressions TB Boykin Physical Review B 56 (15), 9613, 1997 | 73 | 1997 |

Effective-mass reproducibility of the nearest-neighbor sp 3 s* models: Analytic results TB Boykin, G Klimeck, RC Bowen, R Lake Physical Review B 56 (7), 4102, 1997 | 71 | 1997 |