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Reformulation of DFT + U as a Pseudohybrid Hubbard Density Funcitonal for Accelerated Materials Discovery

Description: This article introduces ACBN0, a pseudohybrid Hubbard density functional that yields an improved prediction of the band structure of insulators such as transition-metal oxides, with only a negligible increase in computational cost.
Date: January 28, 2015
Creator: Agapito, Luis A.; Curtarolo, Stefano & Buongiorno Nardelli, Marco
Partner: UNT College of Arts and Sciences

Structural and electronic properties of carbon nanotube tapers

Description: Article on structural and electronic properties of carbon nanotube tapers, a set of nanostructures comprised of straight tubular sections with decreasing diameters, joined to each other via conical funnels and terminated with a hemispherical cap.
Date: October 29, 2001
Creator: Meunier, Vincent; Buongiorno Nardelli, Marco; Roland, Christopher & Bernholc, Jerry
Partner: UNT College of Arts and Sciences