Data‐driven and constrained optimization of semi‐local exchange and nonlocal correlation functionals for materials and surface chemistry
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26872
Abstract: Reliable predictions of surface chemical reaction energetics require an accurate description of both chemisorption and physisorption. Here, we present an empirical approach to simultaneously optimize semi‐local exchange and nonlocal correlation of a density functional approximation… read more here.
Keywords: semi local; chemistry; exchange; exchange nonlocal ... See more keywords
Spin-current diodes based on germanene and stanene subjected to local exchange fields
Sign Up to like & getrecommendations! Published in 2018 at "Applied Physics Letters"
DOI: 10.1063/1.5041899
Abstract: We theoretically propose a spin-current diode based on germanene and stanene nanoribbons. The results reveal that the germanene or stanene nanoribbon simultaneously under x- and z-direction local exchange fields exhibits excellent rectification characteristics, and that… read more here.
Keywords: exchange fields; local exchange; germanene stanene; spin current ... See more keywords
Robust Skyrmion Shift Device Through Engineering the Local Exchange-Bias Field
Sign Up to like & getrecommendations! Published in 2020 at "Physical review applied"
DOI: 10.1103/physrevapplied.14.044008
Abstract: Magnetic skyrmions are topologically protected spin structures, offering great promise as information carriers for future spintronic devices. However, a series of challenges, such as unreliable skyrmion motion, pinning effects, and a weak readout signal, prevent… read more here.
Keywords: exchange bias; robust skyrmion; skyrmion; local exchange ... See more keywords
Local exchange of metabolites shapes immunity
Sign Up to like & getrecommendations! Published in 2018 at "Immunology"
DOI: 10.1111/imm.12978
Abstract: Immune cell differentiation and function depend on metabolic changes for the provision of energy and metabolites. Consequently, cellular metabolism relies on the availability of micronutrients such as vitamins and energy‐rich sources including amino acids and… read more here.
Keywords: immune cell; exchange; exchange metabolites; local exchange ... See more keywords
A Local-Exchange Model of Folding Chain Surface of Polymer Crystal Based on Worm-Like Chain Model within Single-Chain in Mean-Field Theory
Sign Up to like & getrecommendations! Published in 2020 at "Polymers"
DOI: 10.3390/polym12112555
Abstract: The structure of amorphous layer of folding surface controls the properties of the polymer lamellar crystal, which consists of chains with a loop conformation. The surface tension depends on the length and the distance between… read more here.
Keywords: chain; based worm; surface; model ... See more keywords