Electric-Field-Induced Triplet to Singlet Transition in Size-2 Trigonal Zigzag Graphene Nanoflake
author
Abstract:
Using Hartree-Fock Su-Sheriffer-Heeger (HF-SSH) model, we have studied the dependence of the energies of the ground (magnetic triplet state) and the first exited (nonmagnetic singlet state) states of the size-2 trigonal zigzag graphene nanoflake (size-2 NF) on the intensity of an external in plane static electric field at zero temperature. We identify a transition from the magnetic triplet state to a nonmagnetic singlet state in size-2 NF caused by the polarization energy induced by the in plane static electric field. This transition has a unique property of being accompanied by a sudden increase in the electric dipole moment of the size-2 NF.
similar resources
electric-field-induced triplet to singlet transition in size-2 trigonal zigzag graphene nanoflake
using hartree-fock su-sheriffer-heeger (hf-ssh) model, we have studied the dependence of the energies of the ground (magnetic triplet state) and the first exited (nonmagnetic singlet state) states of the size-2 trigonal zigzag graphene nanoflake (size-2 nf) on the intensity of an external in plane static electric field at zero temperature. we identify a transition from the magnetic triplet stat...
full textElectric field effects in zigzag edged graphene nanoribbons
We investigate the magnetic ordering in zigzag edged graphene nanoribbons under cross-ribbon electric fields by using the Hubbard model within the unrestricted Hatree-Fock approximation. In the absence of applied electric field, the ground state is an “edge-magnetized state” with magnetic moments mainly localized on the edges, where the moments on the two edges are mutually antiparallel. Under ...
full textElectronic effects on singlet-triplet energy splittings in aryl-cyclopentadienylidenes
Energy gaps, AXsar (X=E, H and G) (AX.,.,-=lia,„,,,InrX“dpka,) between single (s) and triplet (I) states werecalculated at B3LTP/6-3 I 1.HO" level of theory. Our results showed that electron donating substituents(G = -NHz, -OH. -CH), -F, -Cl and -Br) at phenyl group cause to increase and electron withdrawingsubstiluents (G -CF2. and -NO:) lead to decrease the singlet-triplet energy gaps of Ar -...
full textSinglet–triplet transition in a single-electron transistor at zero magnetic field
We report sharp peaks in the differential conductance of a single-electron transistor ~SET! at low temperature for gate voltages at which charge fluctuations are suppressed. For odd numbers of electrons we observe the expected Kondo peak at zero bias. For even numbers of electrons we generally observe Kondo-like features corresponding to excited states. For the latter, the excitation energy oft...
full textSinglet-Singlet, Triplet-Singlet, and Triplet-Triplet Energy Transfers. Evidence for Triplet Migration among Pendant Phenyl Groups of Polystyrene
Chemiluminescent techniques have been employed to investigate electronic energy transfer from ketone donors (acetone, acetophenone) to acceptors (e.g., 9,lO-diphenylanthracene and biphenyl) in films of polystyrene and polymethyl methacrylate at 50 "C. Tetramethyl-l,2-dioxetane and 3,4-diphenyl-3,4-dimethyldioxetane were used to generate excited (singlet and triplet) acetone and (triplet) acetop...
full textHigh frequency electric field induced nonlinear effects in graphene
The nonlinear optical and optoelectronic properties of graphene with the emphasis on the processes of harmonic generation, frequency mixing, photon drag and photogalvanic effects as well as generation of photocurrents due to coherent interference effects, are reviewed. The article presents the state-of-the-art of this subject, including both recent advances and well-established results. Various...
full textMy Resources
Journal title
volume 23 issue 3
pages 263- 267
publication date 2012-09-01
By following a journal you will be notified via email when a new issue of this journal is published.
Hosted on Doprax cloud platform doprax.com
copyright © 2015-2023