First principles theory of artificial metal chains on NiAl(110) surface

First principles theory of artificial metal chains on NiAl(110) surface

Date: July 8, 2005
Creator: Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article on the first principles theory of artificial metal chains on NiAl(110) surface.
Contributing Partner: UNT College of Arts and Sciences
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Date: August 5, 2013
Creator: Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.
Contributing Partner: UNT College of Arts and Sciences
Electronic and Transport Properties of Artificial Gold Chains

Electronic and Transport Properties of Artificial Gold Chains

Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Description: Article on electronic and transport properties of artificial gold chains.
Contributing Partner: UNT College of Arts and Sciences
Ab initio transport properties of nanostructures from maximally localized Wannier functions

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Date: January 22, 2004
Creator: Calzolari, Arrigo; Marzari, Nicola; Souza, Ivo & Buongiorno Nardelli, Marco
Description: Article on ab initio transport properties of nanostructures from maximally localized Wannier functions.
Contributing Partner: UNT College of Arts and Sciences
Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Date: October 16, 2012
Creator: Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David A. & Buongiorno Nardelli, Marco
Description: This article discusses complex materials for molecular spintronics applications.
Contributing Partner: UNT College of Arts and Sciences
Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions

Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions

Date: September 13, 2012
Creator: Mao, R.; Kong, Byoung Don; Kim, Ki Wook; Jayasekera, Thushari; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article discussing phonon engineering in nanostructures and controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions.
Contributing Partner: UNT College of Arts and Sciences
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance

Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance

Date: January 12, 2007
Creator: Stekolnikov, A. A.; Seino, Kaori; Bechstedt, Friedhelm; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article on hexagon versus trimer formation in In nanowires on Si(111).
Contributing Partner: UNT College of Arts and Sciences
Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures

Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures

Date: 2010
Creator: Calzolari, Arrigo; Jin, Wei; Reutt-Robey, Janice E. & Buongiorno Nardelli, Marco
Description: Article on substrate-mediated intermolecular hybridization in binary phthalocyanine superstructures.
Contributing Partner: UNT College of Arts and Sciences
Spontaneous polarization and piezoelectricity in boron nitride nanotubes

Spontaneous polarization and piezoelectricity in boron nitride nanotubes

Date: June 10, 2003
Creator: Nakhmanson, Serge M.; Calzolari, Arrigo; Meunier, Vincent; Bernholc, Jerry & Buongiorno Nardelli, Marco
Description: Article on spontaneous polarization and piezoelectricity in boron nitride nanotubes.
Contributing Partner: UNT College of Arts and Sciences
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

Date: May 6, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, Rosa; Manghi, Franca; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Description: This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Contributing Partner: UNT College of Arts and Sciences
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