Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tuning charge and spin excitations in zigzag edge nanographene ribbons.

ABSTRACT: Graphene and its quasi-one-dimensional counterpart, graphene nanoribbons, present an ideal platform for tweaking their unique electronic, magnetic and mechanical properties by various means for potential next-generation device applications. However, such tweaking requires knowledge of the electron-electron interactions that play a crucial role in these confined geometries. Here, we have investigated the magnetic and conducting properties of zigzag edge graphene nanoribbons (ZGNRs) using the many-body configuration interaction (CI) method on the basis of the Hubbard Hamiltonian. For the half-filled case, the many-body ground state shows a ferromagnetic spin-spin correlation along the zigzag edge, which supports the picture obtained from one-electron theory. However, hole doping reduces the spin and charge excitation gap, making the ground state conducting and magnetic. We also provide a two-state model that explains the low-lying charge and spin excitation spectrum of ZGNRs. An experimental setup to confirm the hole-mediated conducting and magnetic states is discussed.

SUBMITTER: Dutta S

PROVIDER: S-EPMC3399123 | biostudies-other | 2012

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

Edge state magnetism in zigzag-interfaced graphene via spin susceptibility measurements.

Project description:Development of graphene spintronic devices relies on transforming it into a material with a spin order. Attempts to make graphene magnetic by introducing zigzag edge states have failed due to energetically unstable structure of torn zigzag edges. Here, we report on the formation of nanoridges, i.e., stable crystallographically oriented fluorine monoatomic chains, and provide experimental evidence for strongly coupled magnetic states at the graphene-fluorographene interfaces. From the first principle calculations, the spins at the localized edge states are ferromagnetically ordered within each of the zigzag interface whereas the spin interaction across a nanoridge is antiferromagnetic. Magnetic susceptibility data agree with this physical picture and exhibit behaviour typical of quantum spin-ladder system with ferromagnetic legs and antiferromagnetic rungs. The exchange coupling constant along the rungs is measured to be 450 K. The coupling is strong enough to consider graphene with fluorine nanoridges as a candidate for a room temperature spintronics material.

| S-EPMC4549622 | biostudies-literature

Rules of Nucleophilic Additions to Zigzag Nanographene Diones*.

Project description:Nucleophilic addition of carbon-centered nucleophiles to nanographene ketones represents a valuable late-stage method for the functionalization of zigzag nanographenes, but its use is rare in the chemical literature. Using two model systems, non-Kekulé triangulene-4,8-dione and Kekulé anthanthrone, we identify unexpected regioselectivities and uncover the rules that govern these reactions. Considering the large number of nanographene ketones that have been reported since the pioneering work of Eric Clar, this method enables synthesis and exploration of hitherto unknown functionalized nanographenes.

| S-EPMC8251702 | biostudies-literature

Edge contact dependent spin transport for n-type doping zigzag-graphene with asymmetric edge hydrogenation.

Project description:Spin transport features of the n-type doping zigzag graphene nanoribbons (ZGNRs) with an edge contact are investigated by first principle methods, where ZGNRs are C-H2 bonded at one edge while C-H bonded at the other to form an asymmetric edge hydrogenation. The results show that a perfect spin filtering effect (100%) in such ZGNR nanojunctions can be achieved in a very large bias region for the unchanged spin states regardless of bias polarities, and the nanojunction with a contact of two C-H2 bonded edges has larger spin polarized current than that with a contact of two C-H bonded edges. The transmission pathways and the projected density of states (PDOS) demonstrate that the edge of C-H2 bonds play a crucial role for the spin magnetism and spin-dependent transport properties. Moreover, the negative differential resistance (NDR) effect is also observed in the spin-polarized current.

| S-EPMC3918971 | biostudies-other

Synthesis of zigzag- and fjord-edged nanographene with dual amplified spontaneous emission.

Project description:We report the synthesis of a dibenzodinaphthocoronene (DBDNC) derivative as a novel nanographene with armchair, zigzag, and fjord edges, which was characterized by NMR and X-ray crystallography as well as infrared (IR) and Raman spectroscopies. Ultrafast transient absorption (TA) spectroscopy revealed the presence of stimulated emission signals at 655 nm and 710 nm with a relatively long lifetime, which resulted in dual amplified spontaneous emission (ASE) bands under ns-pulsed excitation, indicating the promise of DBNDC as a near-infrared (NIR) fluorophore for photonics. Our results provide new insight into the design of nanographene with intriguing optical properties by incorporating fjord edges.

| S-EPMC9667923 | biostudies-literature

Evidence for solitonic spin excitations from a charge-lattice-coupled ferroelectric order.

Project description:Topological defects have been explored in different fields ranging from condensed matter physics and particle physics to cosmology. In condensed matter, strong coupling between charge, spin, and lattice degrees of freedom brings about emergent excitations with topological characteristics at low energies. One-dimensional (1D) systems with degenerate dimerization patterns are typical stages for the generation of topological defects, dubbed "solitons"; for instance, charged solitons are responsible for high electrical conductivity in doped trans-polyacetylene. Here, we provide evidence based on a nuclear magnetic resonance (NMR) study for mobile spin solitons deconfined from a strongly charge-lattice-coupled spin-singlet ferroelectric order in a quasi-1D organic charge-transfer complex. The NMR spectral shift and relaxation rate associated with static and dynamic spin susceptibilities indicate that the ferroelectric order is violated by dilute solitonic spin excitations, which were further demonstrated to move diffusively by the frequency dependence of the relaxation rate. The traveling solitons revealed here may promise the emergence of anomalous electrical and thermal transport.

| S-EPMC6269158 | biostudies-other

Giant edge state splitting at atomically precise graphene zigzag edges.

Project description:Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating the study of their intrinsic electronic and magnetic structure. Here, we focus on atomically precise graphene nanoribbons whose two short zigzag edges host exactly one localized electron each. Using the tip of a scanning tunnelling microscope, the graphene nanoribbons are transferred from the metallic growth substrate onto insulating islands of NaCl in order to decouple their electronic structure from the metal. The absence of charge transfer and hybridization with the substrate is confirmed by scanning tunnelling spectroscopy, which reveals a pair of occupied/unoccupied edge states. Their large energy splitting of 1.9?eV is in accordance with ab initio many-body perturbation theory calculations and reflects the dominant role of electron-electron interactions in these localized states.

| S-EPMC4873614 | biostudies-literature

Propagation dynamics of spin excitations along skyrmion strings.

Project description:Magnetic skyrmions, topological solitons characterized by a two-dimensional swirling spin texture, have recently attracted attention as stable particle-like objects. In a three-dimensional system, a skyrmion can extend in the third dimension forming a robust and flexible string structure, whose unique topology and symmetry are anticipated to host nontrivial functional responses. Here we experimentally demonstrate the coherent propagation of spin excitations along skyrmion strings for the chiral-lattice magnet Cu2OSeO3. We find that this propagation is directionally non-reciprocal and the degree of non-reciprocity, as well as group velocity and decay length, are strongly dependent on the character of the excitation modes. These spin excitations can propagate over a distance exceeding 50 μm, demonstrating the excellent long-range ordered nature of the skyrmion-string structure. Our combined experimental and theoretical analyses offer a comprehensive account of the propagation dynamics of skyrmion-string excitations and suggest the possibility of unidirectional information transfer along such topologically protected strings.

| S-EPMC6959257 | biostudies-literature

Spin-Conserved and Spin-Flip Optical Excitations from the Bethe-Salpeter Equation Formalism.

Project description:Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe-Salpeter equation (BSE) formalism of many-body perturbation theory, in its static approximation, is "blind" to double (and higher) excitations, which are ubiquitous, for example, in conjugated molecules like polyenes. Here, we apply the spin-flip ansatz (which considers the lowest triplet state as the reference configuration instead of the singlet ground state) to the BSE formalism in order to access, in particular, double excitations. The present scheme is based on a spin-unrestricted version of the GW approximation employed to compute the charged excitations and screened Coulomb potential required for the BSE calculations. Dynamical corrections to the static BSE optical excitations are taken into account via an unrestricted generalization of our recently developed (renormalized) perturbative treatment. The performance of the present spin-flip BSE formalism is illustrated by computing excited-state energies of the beryllium atom, the hydrogen molecule at various bond lengths, and cyclobutadiene in its rectangular and square-planar geometries.

| S-EPMC8154368 | biostudies-literature

Spin excitations of ferronematic order in underdoped cuprate superconductors.

Project description:High-temperature superconductors exhibit a characteristic hourglass-shaped spectrum of magnetic fluctuations which most likely contribute to the pairing glue in the cuprates. Recent neutron scattering experiments in strongly underdoped compounds have revealed a significant low energy anisotropy of these fluctuations which we explain by a model in which topological defects of the antiferromagnet clump to producing domain wall segments with ferronematic order. This state does not invoke global charge order but breaks C4 rotational and inversion symmetry. The incommensurability of the low doping charge-disordered state is in good agreement with experiment and interpolates smoothly with the incommensurability of the stripe phase at higher doping. Within linear spin-wave theory the dynamic structure factor is in very good agreement with inelastic neutron scattering data and can account for the observed energy dependent anisotropy.

| S-EPMC4060504 | biostudies-literature

Spin-dependent Optical Excitations in LiFeO<sub>2</sub>.

Project description:The three-dimensional ternary LiFeO2 compound presents various unusual properties. The main features are thoroughly explored by using many-body perturbation theory. The concise physical/chemical picture, the critical spin polarizations, and orbital hybridizations in the Li-O and Fe-O bonds are clearly examined through geometric optimization, quasi-particle energy spectra, spin-polarized density of states, spatial charge densities, spin-density distributions, and strong optical responses. The unusual optical transitions cover various frequency-dependent absorption structures, and the most prominent plasmon modes are identified from the dielectric functions, energy loss functions, reflectance spectra, and absorption coefficients. Optical excitations are anisotropic and strongly affected by excitonic effects. The close combinations of electronic, magnetic, and optical properties allow us to identify the significant spin polarizations and orbital hybridizations for each available excitation channel. The lithium ferrite compound can be used for spintronic and photo-catalysis applications.

| S-EPMC8495858 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data