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Grand canonical simulations of electrochemical interfaces in implicit solvation models (open access)

Grand canonical simulations of electrochemical interfaces in implicit solvation models

Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date: August 31, 2018
Creator: Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
System: The UNT Digital Library
Electrodynamics of superlattices with ultra-thin metal layers: quantum Landau damping and band gaps with nonzero density of states (open access)

Electrodynamics of superlattices with ultra-thin metal layers: quantum Landau damping and band gaps with nonzero density of states

This article develops a theory of electromagnetic transmission through dielectric-metal superlattices with ultra-thin metal films, in which electron motion in the direction perpendicular to the metal surfaces is quantized.
Date: October 16, 2018
Creator: Castillo-López, S. G.; Krokhin, Arkadii A.; Makarov, N. M. & Pérez-Rodríguez, F.
System: The UNT Digital Library
Giant spin Hall effect in two-dimensional monochalcogenides (open access)

Giant spin Hall effect in two-dimensional monochalcogenides

This article, using calculations from first principles, reveals for the first time giant intrinsic spin Hall conductivities (SHC) in these materials. In particular, the article shows that the SHC resonances can be easily tuned by combination of strain and doping and, in some cases, strain can be used to induce semiconductor to metal transition that makes a giant spin Hall effect possible even in absence of doping.
Date: October 30, 2018
Creator: Sławińska, Jagoda; Cerasoli, Frank T.; Wang, Haihang; Postorino, Sara; Supka, Andrew; Curtarolo, Stefano et al.
System: The UNT Digital Library
Electrically tunable, sustainable, and erasable broadband light absorption in graphene sandwiched in Al2O3 oxides (open access)

Electrically tunable, sustainable, and erasable broadband light absorption in graphene sandwiched in Al2O3 oxides

This article is a study of graphene as an electrically tunable material for switchable devices. Graphene is obtained from graphene oxide during the atomic layer deposition of Al2O3, as confirmed by Raman spectrum.
Date: November 15, 2018
Creator: Adewole, Murthada; Cui, Jingbiao; Lowell, David; Hassan, Safaa; Jiang, Yan; Singh, Abhay et al.
System: The UNT Digital Library
New mechanism of plasmons specific for spin-polarized nanoparticles (open access)

New mechanism of plasmons specific for spin-polarized nanoparticles

This article experimentally shows that Co nanoparticles with a single-domain crystal structure support a plasmon resonance at approximately 280 nm with better quality than gold nanoparticle resonance in the visible. The magnetic nature of these nanoparticles suggests a new type of these plasmons.
Date: March 27, 2018
Creator: Bhatta, Hari L.; Aliev, Abil E. & Drachev, Vladimir P.
System: The UNT Digital Library
Fe/GeTe(111) heterostructures as an avenue towards spintronics based on ferroelectric Rashba semiconductors (open access)

Fe/GeTe(111) heterostructures as an avenue towards spintronics based on ferroelectric Rashba semiconductors

Article investigating the electronic structure of Fe/GeTe(111), a prototypical ferromagnetic/Rashba-ferroelectric interface, by performing density functional theory and Green's functions calculations complemented by x-ray photoemission spectroscopy.
Date: February 19, 2019
Creator: Sławińska, Jagoda; Di Sante, Domenico; Varotto, Sara; Rinaldi, Christian & Picozzi, Silvia
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.
System: The UNT Digital Library
First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel (open access)

First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel

Article systematically studying the effect of Si, P, and S impurities on the diffusion and binding of an H atom in a face-centered-cubic (FCC) Ni lattice using density functional theory (DFT),
Date: March 26, 2019
Creator: Paranjape, Priyanvada; Gopal, Priya & Srinivasan, S. G.
System: The UNT Digital Library
Topology of Black Holes’ Horizons (open access)

Topology of Black Holes’ Horizons

Article exploring the topology of black holes.
Date: April 3, 2019
Creator: Tozzi, Arturo & Peters, James F.
System: The UNT Digital Library
Entropy Balance in the Expanding Universe: A Novel Perspective (open access)

Entropy Balance in the Expanding Universe: A Novel Perspective

The article describes cosmic expansion as correlated with the standpoints of local observers’ co-moving horizons. In keeping with relational quantum mechanics, which claims that quantum systems are only meaningful in the context of measurements, the authors suggest that information gets ergodically “diluted” in our isotropic and homogeneous expanding Universe, so that an observer detects just a limited amount of the total cosmic bits.
Date: April 17, 2019
Creator: Tozzi, Arturo & Peters, James F.
System: The UNT Digital Library
Dual-Band High Efficiency Terahertz Meta-Devices Based on Reflective Geometric Metasurfaces (open access)

Dual-Band High Efficiency Terahertz Meta-Devices Based on Reflective Geometric Metasurfaces

Article proposing a novel reflective building block (unit cell) to work at two arbitrary terahertz frequency bands with independent phase control at each band.
Date: April 18, 2019
Creator: Lin, Yuankun; Wang, Tailei; Xie, Rensheng; Zhu, Shouzheng; Gao, Jianjun; Xin, Mingbo et al.
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
System: The UNT Digital Library
Effects of Photonic Band Structure and Unit Super-Cell Size in Graded Photonic Super-Crystal on Broadband Light Absorption in Silicon (open access)

Effects of Photonic Band Structure and Unit Super-Cell Size in Graded Photonic Super-Crystal on Broadband Light Absorption in Silicon

Examines the novel optical properties of a graded photonic super-crystal (GPSC) with a large size of unit cell.
Date: May 9, 2019
Creator: Hassan, Safaa; Alnasser, Khadijah; Lowell, David & Lin, Yuankun
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.
System: The UNT Digital Library
Formation and characterization of embedded Fe3Si binary structures in Si (open access)

Formation and characterization of embedded Fe3Si binary structures in Si

Article studying chemical and electronic properties of ion beam synthesized Fe-Si binary structures using X-ray photoelectron spectroscopy binding energy analysis.
Date: May 16, 2019
Creator: Lakshantha, Wickramaarachchige J.; McDaniel, Floyd Del. (Floyd Delbert), 1942- & Rout, Bibhudutta
System: The UNT Digital Library
Electrostatic equilibria of non-neutral plasmas confined in a Penning trap with axially varying magnetic field (open access)

Electrostatic equilibria of non-neutral plasmas confined in a Penning trap with axially varying magnetic field

This article describes a procedure for computing the electrostatic equilibria of non-neutral plasmas in a Penning trap with a nonuniform magnetic field by solving Poisson's equation using an iterative method. Plasma equilibria in a model Penning trap with high and low field regions are computed. The plasma is assumed to follow the Boltzmann density distribution along magnetic field lines.
Date: May 21, 2019
Creator: Lane, Ryan A. & Ordonez, Carlos A.
System: The UNT Digital Library
Lattice quantum magnetometry (open access)

Lattice quantum magnetometry

Article presenting the idea of lattice quantum magnetometry, i.e., quantum sensing of magnetic fields by a charged (spinless) particle placed on a finite two-dimensional lattice.
Date: June 24, 2019
Creator: Razzoli, Luca; Ghirardi, Luca; Siloi, Ilaria; Bordone, Paolo & Paris, Matteo G. A.
System: The UNT Digital Library
A unified, contemporary approach to teaching energy in introductory physics (open access)

A unified, contemporary approach to teaching energy in introductory physics

Article proposes a more coherent, contemporary approach to the teaching of energy in introductory physics courses that offers students a principled way to avoid confusions.
Date: July 1, 2019
Creator: Chabay, Ruth; Sherwood, Bruce & Titus, Aaron
System: The UNT Digital Library
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids (open access)

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date: July 8, 2019
Creator: Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
System: The UNT Digital Library
Classical trajectory Monte Carlo simulation of plasma fueling using magnetic plasma expulsion (open access)

Classical trajectory Monte Carlo simulation of plasma fueling using magnetic plasma expulsion

Article describes a study exploring the possibility of fueling a magnetically confined plasma using particle sources located inside of the plasma.
Date: July 11, 2019
Creator: Martinez, Armando & Ordonez, Carlos A.
System: The UNT Digital Library
Label-free characterization of white blood cells using fluorescence lifetime imaging and flow-cytometry: molecular heterogeneity and erythrophagocytosis [Invited] (open access)

Label-free characterization of white blood cells using fluorescence lifetime imaging and flow-cytometry: molecular heterogeneity and erythrophagocytosis [Invited]

Article reporting the results of blood cell characterization using label-free fluorescence imaging techniques and flow-cytometry. Autofluorescence parameters of different cell types – white blood cells, red blood cells, erythrophagocytic cells – are assessed and analyzed in terms of molecular heterogeneity and possibilities of differentiation between different cell types in vitro and in vivo.
Date: July 29, 2019
Creator: Drachev, Vladimir P.; Yakimov, Boris P.; Gogoleva, Maria A.; Semenov, Alexey N.; Rodionov, Sergey A.; Novoselova, Marina V. et al.
System: The UNT Digital Library
Influence of coherent population trapping on Raman scattering (open access)

Influence of coherent population trapping on Raman scattering

Article considering the Raman scattering in molecular media. Applying two laser fields in a two-photon resonance with vibrational transition, the authors study the role of rotational levels for excitation of vibrational coherence. It is shown that the molecular vibrational coherence strongly depends on the effect of coherent population trapping for rotational levels. The obtained results are important for applications of Raman spectroscopy to molecular detection in engineering, chemical, and biological applications.
Date: August 8, 2019
Creator: Singh, Pooja; Rostovtsev, Yuri V.; Patnaik, Anil K.; Roy, Sukesh & Gord, James R.
System: The UNT Digital Library
Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7 (open access)

Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7

Article reporting that CsBiNb₂O₇, a layered perovskite of Dion-Jacobson type, is a robust ferroelectric with sufficiently strong spin-orbit coupling and spin texture reversible by electric field. The study reveals that its topmost valence band's spin texture is quasi-independent from the momentum, as a result of the low symmetry of its ferroelectric phase. The peculiar spin-polarization pattern in the momentum space may yield the so-called “persistent spin helix,” a specific spin-wave mode which protects the spin from decoherence in the diffusive transport regime, potentially ensuring a very long spin lifetime in this material.
Date: August 19, 2019
Creator: Sławińska, Jagoda; Autieri, Carmine; Barone, Paolo & Picozzi, Silvia
System: The UNT Digital Library
Amplification of photoacoustic effect in bimodal polymer particles by self-quenching of indocyanine green (open access)

Amplification of photoacoustic effect in bimodal polymer particles by self-quenching of indocyanine green

This article presents a new type of bimodal contrast agent that is based on the self-quenching of indocyanine green (ICG) encapsulated in a biocompatible and biodegradable polymer shell.
Date: August 23, 2019
Creator: Mokrousov, Maksim D.; Novoselova, Marina V.; Nolan, Jackie; Harrington, Walter; Rudakovskaya, Polina; Bratashov, Daniil N. et al.
System: The UNT Digital Library