Spin polarization through axially chiral linkers: Length dependence and correlation with the dissymmetry factor.
Sign Up to like & getrecommendations! Published in 2023 at "Chirality"
DOI: 10.1002/chir.23556
Abstract: The chiral-induced spin selectivity (CISS) effect relates to the spin-selective electron transport through chiral molecules; therefore, the chiral molecules act as spin filters. In past studies, correlation was found between the magnitude of the spin… read more here.
Keywords: spin polarization; spin; dissymmetry factor; peak ... See more keywords
How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27015
Abstract: The ferromagnetic and antiferromagnetic wave functions of the KMnF3 perovskite have been evaluated quantum‐mechanically by using an all electron approach and, for comparison, pseudopotentials on the transition metal and the fluorine ions. It is shown… read more here.
Keywords: spin polarization; transition metal; valence electrons;
Adatom Defect Induced Spin Polarization of Asymmetric Structures
Sign Up to like & getrecommendations! Published in 2022 at "ChemistryOpen"
DOI: 10.1002/open.202100208
Abstract: Abstract The spin polarization of carbon nanomaterials is crucial to design spintronic devices. In this paper, the first‐principles is used to study the electronic properties of two defect asymmetric structures, Cap‐(9, 0)‐Def [6, 6] and Cap‐(9, 0)‐Def [5, 6]. We found… read more here.
Keywords: spin polarization; polarization asymmetric; cap def; asymmetric structures ... See more keywords
Chiral-Molecule-Based Spintronic Devices.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202203015
Abstract: Spintronics and molecular chemistry have achieved remarkable achievements separately. Their combination can apply the superiority of molecular diversity to intervene or manipulate the spin-related properties. It inevitably brings in a new type of functional devices… read more here.
Keywords: chemistry; based spintronic; spin polarization; spintronic devices ... See more keywords
Spin polarization in graphene nanoribbons functionalized with nitroxide
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-3944-4
Abstract: AbstractFine-tuning of magnetic states via an understanding of spin injection on the edge of graphene nanoribbons should allow for greater flexibility of the design of graphene-based spintronics. On the basis of calculations, we predict that… read more here.
Keywords: graphene nanoribbons; polarization graphene; graphene; nanoribbons functionalized ... See more keywords
The effects of lead–ring coupling and the external Rashba interaction on the effective spin polarization of a chain of quantum nano rings
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computational Electronics"
DOI: 10.1007/s10825-020-01479-5
Abstract: The effective spin polarization and spin filtering of a linear chain of N one-dimensional nanorings in the presence of the Rashba and Aharonov–Bohm effects are studied by considering three different lead–ring coupling regimes. Utilizing the… read more here.
Keywords: effective spin; lead ring; spin; ring coupling ... See more keywords
Suppressed and enhanced spin polarization in the 1ML-Pb/Ge(1 1 1)-1 × 1 system
Sign Up to like & getrecommendations! Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.10.028
Abstract: Abstract It is shown, based on the density functional theory (DFT), that the spin splitting of surface electronic states induced by a Pb monolayer on the Ge(1 1 1)-1 × 1 surface depends on the bonding structure… read more here.
Keywords: 1ml system; polarization 1ml; spin; suppressed enhanced ... See more keywords
Ni structural doping induced spin polarization effects on the optical and electric properties of nano-SiC film
Sign Up to like & getrecommendations! Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2019.03.351
Abstract: Abstract The density functional theory (DFT) was used to analyze the electron spin competition interaction between next neighbor Ni atoms in various artificially designed structures in a nano-SiC monolayer honeycomb structure. The electronic structural, magnetic… read more here.
Keywords: structural doping; doping induced; nano sic; structure ... See more keywords
Spatial manipulating spin-polarization and tunneling patterns in graphene spirals via periphery structural modification
Sign Up to like & getrecommendations! Published in 2017 at "Carbon"
DOI: 10.1016/j.carbon.2016.11.052
Abstract: Abstract A new carbon-based morphology, graphene spirals (GSs), possesses interesting electronic features with inter-layer interaction and intra-layer interaction, ascribed to its unique intra-system electronic coupling states. The spin-polarization and the tunneling patterns of GSs manipulated… read more here.
Keywords: graphene spirals; layer; tunneling patterns; polarization tunneling ... See more keywords
Adsorption and spin polarization of pyridine on Fe/W(1 1 0) interface: A DFT study
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110734
Abstract: Abstract Organic molecules containing conjugated π electrons acquire a magnetic moment when adsorbed on ferromagnetic surfaces. Plane-wave DFT calculations show that pyridine molecule, which has no magnetism in the gas phase, acquires a magnetic moment… read more here.
Keywords: moment; surface; interface; spin polarization ... See more keywords
Insight into half-metallicity, spin-polarization and mechanical properties of L21 structured MnY2Z (Z= Al, Si, Ga, Ge, Sn, Sb) Heusler alloys
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2017.11.239
Abstract: Abstract We have investigated electronic structure, magnetism and mechanical properties of L21 structured Heusler alloys within the framework of First-principles method. Highly spin-polarized calculations are used to analyze the structural phase stability, magnetism, mechanical behavior… read more here.
Keywords: heusler alloys; polarization; l21 structured; mechanical properties ... See more keywords