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Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine (open access)

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date: April 12, 2005
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type: Patent
System: The UNT Digital Library
Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide (open access)

Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide

Article on phonon softening and high-pressure low-symmetry phases of cesium iodide.
Date: August 17, 1992
Creator: Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo
Object Type: Article
System: The UNT Digital Library
Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes (open access)

Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes

Article on lip-lip interactions and the growth of multiwalled carbon nanotubes.
Date: January 12, 1998
Creator: Buongiorno Nardelli, Marco; Brabec, Charles; Roland, Christopher & Bernholc, Jerry
Object Type: Article
System: The UNT Digital Library
Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions (open access)

Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions

Article presents a combination of first principles and quantum ballistic transport calculations to shed important insights from an atomistic viewpoint on the underlying mechanisms governing spin transport in graphene/ CrI₃ junctions.
Date: May 29, 2020
Creator: Buongiorno Nardelli, Marco; Heath, Jonathan J.; Costa, Marcio & Kuroda, Marcelo A.
Object Type: Article
System: The UNT Digital Library
Brittle and Ductile Behavior in Carbon Nanotubes (open access)

Brittle and Ductile Behavior in Carbon Nanotubes

Article discussing research on the response of carbon nanotubes to a tensile load.
Date: November 23, 1998
Creator: Buongiorno Nardelli, Marco; Yakobson, Boris I. & Bernholc, Jerry
Object Type: Article
System: The UNT Digital Library
Electronic and Transport Properties of Artificial Gold Chains (open access)

Electronic and Transport Properties of Artificial Gold Chains

Article on electronic and transport properties of artificial gold chains.
Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers (open access)

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

This article discusses complex materials for molecular spintronics applications.
Date: October 16, 2012
Creator: Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David A. & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Advanced modeling of materials with PAOFLOW 2.0: New features and software design (open access)

Advanced modeling of materials with PAOFLOW 2.0: New features and software design

This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.
Date: September 2, 2021
Creator: Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
Object Type: Article
System: The UNT Digital Library
Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions (open access)

Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions

Article describing an algorithm or computing the detailed surface charge distributions in equilibrium electrostatic situations and in steady-state DC circuits, and discuss the results of the computations of surface charge distributions for several systems.
Date: December 14, 2018
Creator: Chabay, Ruth & Sherwood, Bruce
Object Type: Article
System: The UNT Digital Library
Controlling Topological States in Topological/Normal Insulator Heterostructures (open access)

Controlling Topological States in Topological/Normal Insulator Heterostructures

This article contains a systematic investigation of the nature of the nontrivial interface states in topological/normal insulator (TI/NI) heterostructures.
Date: November 26, 2018
Creator: Costa, Marcio; Costa, Antônio T.; Freitas, Walter A.; Schmidt, Tome M.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
Object Type: Article
System: The UNT Digital Library
Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature (open access)

Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature

This article shows a connection between spin Hall effect and HOTIs using a combination of ab initio calculations and tight-binding modeling. The model demonstrates how a non-zero bulk midgap spin Hall conductivity (SHC) emerges within the HOTI phase. This work guides novel experimental and theoretical advances towards higher-order topological insulator realization and applications.
Date: April 12, 2021
Creator: Costa, Marcio; Mera Acosta, Carlos; Padilha, Antonio C.M.; Cerasoli, Frank T.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
Object Type: Article
System: The UNT Digital Library
Cysne et al. Reply (open access)

Cysne et al. Reply

This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.
Date: October 1, 2021
Creator: Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type: Article
System: The UNT Digital Library
Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides (open access)

Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides

This article shows that a bilayer of 2H-MoS₂ is an orbital Hall insulator that exhibits a sizeable orbital Hall effect in the absence of both spin and valley Hall effects. The results are based on density functional theory and low-energy effective model calculations and strongly suggest that bilayers of TMDs are highly suitable platforms for direct observation of the orbital Hall insulating phase in two-dimensional materials.
Date: February 5, 2021
Creator: Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type: Article
System: The UNT Digital Library
Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point (open access)

Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point

This paper investigates the synthesis of Ag NCs in Si(100) substrate by implanting multiple energies and fluences of Ag ions and subsequent thermal annealing.
Date: April 2, 2014
Creator: Dhoubhadel, Mangal; Rout, Bibhudutta; Lakshantha, Wickramaarachchige J.; Das, Sushanta K.; D'Souza, Francis; Glass, Gary A. et al.
Object Type: Paper
System: The UNT Digital Library
Edmonds et al. Reply (open access)

Edmonds et al. Reply

This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Date: April 8, 2005
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Object Type: Article
System: The UNT Digital Library
Mn Interstitial Diffusion in (Ga, Mn)As (open access)

Mn Interstitial Diffusion in (Ga, Mn)As

This article describes a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga, Mn)As which explains the remarkably lard changes observed on low-temperature annealing.
Date: January 23, 2004
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Object Type: Article
System: The UNT Digital Library
Mechanism for etching of exfoliated graphene on substrates by low-energy electron irradiation from helium plasma electron sources (open access)

Mechanism for etching of exfoliated graphene on substrates by low-energy electron irradiation from helium plasma electron sources

Article investigating the mechanism for etching of exfoliated graphene multilayers on SiO₂ by low-energy (50 eV) electron irradiation using He plasma systems for electron sources.
Date: February 26, 2019
Creator: Femi-Oyetoro, John D.; Yao, Kevin; Tang, Runtian; Ecton, Philip A.; Roccapriore, Kevin M.; Mhlanga, Ashley et al.
Object Type: Article
System: The UNT Digital Library
First-Principles Theory of Correlated Transport through Nanojunctions (open access)

First-Principles Theory of Correlated Transport through Nanojunctions

Article on the first-principles theory of correlated transport through nanojunctions.
Date: March 25, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, R.; Manghi, F.; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Object Type: Article
System: The UNT Digital Library
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)] (open access)

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

This article provides the correction of an equation that was misprinted in Physical Review Letters 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.
Object Type: Article
System: The UNT Digital Library
Coordination corrected ab initio formation enthalpies (open access)

Coordination corrected ab initio formation enthalpies

Article proposes the “coordination corrected enthalpies” method (CCE), based on the number of nearest neighbor cation–anion bonds, and also capable of correcting relative stability of polymorphs.
Date: May 15, 2019
Creator: Friedrich, Rico; Usanmaz, Demet; Oses, Corey; Supka, Andrew; Fornari, Marco; Buongiorno Nardelli, Marco et al.
Object Type: Article
System: The UNT Digital Library
Process for Synthesizing Oil and Surfactant-free Hyaluronic Acid Nanoparticles and Microparticles (open access)

Process for Synthesizing Oil and Surfactant-free Hyaluronic Acid Nanoparticles and Microparticles

Patent relating to a process for synthesizing oil and surfactant-free hyaluronic acid nanoparticles and microparticles.
Date: November 3, 2004
Creator: Hu, Zhibing; Xia, Xiaohu & Tang, Liping
Object Type: Patent
System: The UNT Digital Library
Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001) (open access)

Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

Article on band engineering and magnetic doping of epitaxial graphene on SiC (0001).
Date: April 9, 2010
Creator: Jayasekera, Thushari; Kong, Byoung Don; Kim, Ki Wook & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study (open access)

Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface.
Date: July 27, 2011
Creator: Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
On the mechanism for plasma hydrogenation of graphene (open access)

On the mechanism for plasma hydrogenation of graphene

This article discusses the mechanism for plasma hydrogenation of graphene.
Date: December 6, 2010
Creator: Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
Object Type: Article
System: The UNT Digital Library