Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations von Boykin, Timothy B, Kharche, Neerav, Klimeck, Gerhard, Korkusinski, Marek

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Practical application of zone-folding concepts in tight-binding calculations von BOYKIN, Timothy B, KLIMECK, Gerhard

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The Position-Momentum Commutator as a Generalized Function: Resolution of the Apparent Discrepancy Between Continuous and Discrete Bases von Boykin, Timothy B.

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Digital orbitals: connecting the tight-binding and plane-wave approaches through sampled-real-space models von Boykin, Timothy B

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Tight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolution von Tan, Yaohua P., Povolotskyi, Michael, Kubis, Tillmann, Boykin, Timothy B., Klimeck, Gerhard

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Quantitative excited state spectroscopy of a single InGaAs quantum dot molecule through multi-million-atom electronic structure calculations von Usman, Muhammad, Tan, Yui-Hong Matthias, Ryu, Hoon, Ahmed, Shaikh S, Krenner, Hubert J, Boykin, Timothy B, Klimeck, Gerhard

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Non-orthogonal tight-binding models: Problems and possible remedies for realistic nano-scale devices von Boykin, Timothy B., Sarangapani, Prasad, Klimeck, Gerhard

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Effective bandstructures from unfolding supercells with vacancies von Boykin, Timothy B., Ajoy, Arvind

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Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D-Part I: Models and Benchmarks von Klimeck, G., Ahmed, S.S., Hansang Bae, Kharche, N., Clark, S., Haley, B., Sunhee Lee, Naumov, M., Hoon Ryu, Saied, F., Prada, M., Korkusinski, M., Boykin, T.B., Rahman, R.

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The discretized Schrödinger equation and simple models for semiconductor quantum wells von Boykin, Timothy B, Klimeck, Gerhard

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Full Three-Dimensional Quantum Transport Simulation of Atomistic Interface Roughness in Silicon Nanowire FETs von SungGeun Kim, Luisier, M, Paul, A, Boykin, T B, Klimeck, G

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Electronic properties of silicon nanowires von Yun Zheng, Rivas, C., Lake, R., Alam, K., Boykin, T.B., Klimeck, G.

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Strain-induced, off-diagonal, same-atom parameters in empirical tight-binding theory suitable for [110] uniaxial strain applied to a silicon parametrization von Boykin, Timothy B., Luisier, Mathieu, Salmani-Jelodar, Mehdi, Klimeck, Gerhard

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Brillouin zone unfolding method for effective phonon spectra von Boykin, Timothy B., Ajoy, Arvind, Ilatikhameneh, Hesameddin, Povolotskyi, Michael, Klimeck, Gerhard

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Insights from simple models for surface states in nanostructures von Boykin, Timothy B, Klimeck, Gerhard

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Computational study of heterojunction graphene nanoribbon tunneling transistors with p-d orbital tight-binding method von Kim, SungGeun, Luisier, Mathieu, Boykin, Timothy B., Klimeck, Gerhard

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Giant quasiparticle bandgap modulation in graphene nanoribbons supported on weakly interacting surfaces von Jiang, Xueping, Kharche, Neerav, Kohl, Paul, Boykin, Timothy B., Klimeck, Gerhard, Luisier, Mathieu, Ajayan, Pulickel M., Nayak, Saroj K.

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Current density and continuity in discretized models von Boykin, Timothy B, Luisier, Mathieu, Klimeck, Gerhard

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Valley splitting in strained silicon quantum wells von Boykin, Timothy B., Klimeck, Gerhard, Eriksson, M. A., Friesen, Mark, Coppersmith, S. N., von Allmen, Paul, Oyafuso, Fabiano, Lee, Seungwon

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Unfolding and effective bandstructure calculations as discrete real- and reciprocal-space operations von Boykin, Timothy B., Ajoy, Arvind, Ilatikhameneh, Hesameddin, Povolotskyi, Michael, Klimeck, Gerhard

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