Timothy B. Boykin and Arvind Ajoy, "Effective bandstructures from unfolding supercells with vacancies," Physica B 531, 130 (2018)
Timothy B. Boykin and Gerhard Klimeck, "Insights from simple models for surface states in nanostructures," European Journal of Physics 38, 025501 (2017).
Yaohua Tan, Michael Povolotskyi, Tillmann Kubis, Timothy B. Boykin, and Gerhard Klimeck, "Transferable tight-binding model for strained group IV and III-V materials and heterostructures," Physical Review B 94, 045311 (2016).
Timothy B. Boykin, Arvind Ajoy, Hesameddin Ilatikhameneh, Michael Povolotskyi, and Gerhard Klimeck, "Unfolding and effective bandstructure calculations as discrete real- and reciprocal-space operations," Physica B 491, 22 (2016).
Yaohua P. Tan, Michael Povolotskyi, Tillmann Kubis, Timothy B. Boykin, and Gerhard Klimeck, "Tight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolution," Physical Review B 92, 085301 (2015).
Timothy B. Boykin, Arvind Ajoy, Hesameddin Ilatikhameneh, Michael Povolotskyi, and Gerhard Klimeck, "Brillouin zone unfolding method for effective phonon spectra," Physical Review B 90, 205214 (2014).
SungGeun Kim, Mathieu Luisier, Timothy B. Boykin, and Gerhard Klimeck, "Computational Study of Heterojunction Graphene Nanoribbon Tunneling Transistors with p/d Orbital Tight-binding Method," Applied Physics Letters 104, 243113 (2014).