Results 81 to 90 of about 3,416 (193)

Memristive InAs‐Based Semiconductors with Anisotropic Ion Transport

Advanced Materials, Volume 37, Issue 20, May 19, 2025.
Memristive semiconductor HxNa2‐xIn2As3 exhibits memristive switching and maintains semiconductor properties through ion migration in its vdW gaps. Low ion migration energy enables a low set voltage, while its low‐symmetry structure produces anisotropic ion transport, offering insights into directional dependence.
Taeyoung Kim, Jongbum Won, Jihong Bae, Giyeok Lee, Minwoo Lee, Sangjin Choi, Sungsoon Kim, Dongchul Seo, Youngjun Cho, Taehoon Kim, Bokyeong Kim, Hong Choi, Byung‐Kyu Yu, Jaegyeom Kim, Soohyung Park, Jinwoo Cheon, Jong‐Young Kim, Juan Bisquert, Aloysius Soon, Wooyoung Shim   +19 more
wiley   +1 more source

Newton's method in Riemannian manifolds

Journal of Numerical Analysis and Approximation Theory, 2008
Using more precise majorizing sequences than before [1], [8], and under the same computational cost, we provide a finer semilocal convergence analysis of Newton's method in Riemannian manifolds with the following advantages: larger convergence domain ...
Ioannis K. Argyros
doaj   +2 more sources

A Journey With THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids

WIREs Computational Molecular Science, Volume 15, Issue 3, May/June 2025.
THeSeuSS (THz Spectra Simulations Software); an automated computational platform that efficiently simulates IR and Raman spectra for both periodic and non‐periodic systems. ABSTRACT Vibrational spectroscopy is an indispensable analytical tool that provides structural fingerprints for molecules, solids, and interfaces thereof.
Ariadni Boziki, Frédéric Ngono Mebenga, Philippe Fernandes, Alexandre Tkatchenko   +3 more
wiley   +1 more source

Ab-initio calculations for the beta-tin diamond transition in Silicon: comparing theories with experiments

, 2010
We investigate the pressure-induced metal-insulator transition from diamond to beta-tin in bulk Silicon, using quantum Monte Carlo (QMC) and density functional theory (DFT) approaches. We show that it is possible to efficiently describe many-body effects,
Andrea Dal Corso, Leonardo Spanu, Michele Casula, R. Miletich, Sandro Sorella   +4 more
core   +1 more source

Semilocal Convergence for a Fifth-Order Newton's Method Using Recurrence Relations in Banach Spaces

Journal of Applied Mathematics, 2011
We study a modified Newton's method with fifth-order convergence for nonlinear equations in Banach spaces. We make an attempt to establish the semilocal convergence of this method by using recurrence relations. The recurrence relations for the method are
Liang Chen, Chuanqing Gu, Yanfang Ma
doaj   +1 more source

Halogen Thermochemistry Assessed with Density Functional Theory: Systematic Errors, Swift Corrections and Effects on Electrochemistry

ChemSusChem, Volume 18, Issue 8, April 14, 2025.
Halogen thermochemistry is not well described by DFT at the GGA, meta‐GGA and hybrid levels. Electronegativity‐based corrections can be devised to swiftly and efficiently mitigate the DFT errors with respect to experiments. The negative impact of halogen errors on surface Pourbaix diagrams is illustrated for Pt and Cu.
Jhon Faber Zapata, Ricardo Urrego‐Ortiz, Santiago Builes, Federico Calle‐Vallejo   +3 more
wiley   +1 more source

Semilocal Topological Defects

, 1992
Semilocal defects are those formed in field theories with spontaneously broken symmetries, where the vacuum manifold $M$ is fibred by the action of the gauge group in a non-trivial way.
Abraham, Abrikosov, Abrikosov, Achúcarro, Adler, Albrecht, Almgren, Aryal, Barriola, Bennett, Bogomol'nyi, Bogomol'nyi, Borrill, Bouchet, Brandenberger, Cheng, Chung, Coleman, Copeland, Davis, Davis, Davis, de Gennes, de Vega, Derrick, Georgi, Gibbons, Ginzburg, Ginzburg, Goddard, Goldhaber, Haws, Hindmarsh, Hindmarsh, Holzwarth, Huang, Kaiser, Kibble, Kibble, Kibble, Kibble, Kibble, Klinkhamer, Kolb, Langacker, Lawson, Leese, Leese, Leese, Manton, Manton, Manton, Mark Hindmarsh, Morse, Moss, Nambu, Nash, Nielsen, Olive, Peccei, Perivolaropoulos, Preskill, Prokopec, Rajaraman, Samols, Shellard, Skyrme, Smoot, Spergel, Spergel, Stebbins, Steenrod, Traschen, Turok, Turok, Turok, Vachaspati, Vachaspati, Vachaspati, Vilenkin, Weinberg, Wilczek, Wilczek, Wu, Wu   +84 more
core   +2 more sources

Neutral defects in SrTiO3 studied with screened hybrid density functional theory

, 2013
The properties of neutral defects in SrTiO3 are calculated using the screened hybrid density functional of Heyd, Scuseria, and Ernzerhof. The formation energies, the crystal field splittings affecting the SrTiO3 band structure, and the relaxation ...
Brothers, Edward N, El-Mellouhi, Fedwa, Lucero, Melissa J, Scuseria, Gustavo E   +3 more
core   +1 more source

Expanding the applicability of Newton-Tikhonov method for ill-posed equations

Journal of Numerical Analysis and Approximation Theory, 2014
We present a new semilocal convergence analysis of Newton- Tikhonov methods for solving ill-posed operator equations in a Hilbert space setting. Using more precise majorizing sequences and under the same computational cost as in earlier studies such as [
Ioannis K. Argyros, Santhosh George
doaj   +2 more sources

Assessment of the TCA functional in computational chemistry and solid-state physics

, 2015
We assess the Tognetti-Cortona-Adamo (TCA) generalized gradient approximation correlation functional [J. Chem. Phys. 128:034101 (2008)] for a variety of electronic systems.
Constantin, L. A., Cortona, P., Della Sala, F., Fabiano, E., Terentjevs, A.   +4 more
core   +3 more sources