Statistical analysis of electronic and phononic transport simulations of metallic atomic contacts
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.125433
Abstract: We adapt existing phonon heat transport methods to compute the phononic thermal conductance of metallic atomic contacts during a stretching process. Nonequilibrium molecular dynamics (NEMD) simulations are used to generate atomic configurations and to simultaneously… read more here.
Keywords: atomic contacts; transport; thermal conductance; electronic phononic ... See more keywords
Direct driving of electronic and phononic degrees of freedom in a honeycomb bilayer with infrared light
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DOI: 10.1103/physrevb.104.245135
Abstract: Martin Rodriguez-Vega, ∗ Michael Vogl, † and Gregory A. Fiete 4 Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran,… read more here.
Keywords: direct driving; driving electronic; department physics; physics ... See more keywords
Prediction of Coupled Electronic and Phononic Ferroelectricity in Strained 2D h-NbN: First-Principles Theoretical Analysis.
Sign Up to like & getrecommendations! Published in 2019 at "Physical review letters"
DOI: 10.1103/physrevlett.123.037601
Abstract: Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semimetallic states in a two-dimensional monolayer of h-NbN subjected to an electric field and in-plane strain (ε). At strains close to ε=4.85%, where its… read more here.
Keywords: ferroelectricity; theoretical analysis; first principles; phononic ferroelectricity ... See more keywords