electric-field-induced triplet to singlet transition in size-2 trigonal zigzag graphene nanoflake

نویسندگان

m. ghaffarian

چکیده

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.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

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...

متن کامل

Electric 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 ...

متن کامل

Electronic 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 -...

متن کامل

Singlet–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...

متن کامل

Singlet-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...

متن کامل

High 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...

متن کامل

منابع من

با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید


عنوان ژورنال:
journal of sciences, islamic republic of iran

ناشر: university of tehran

ISSN 1016-1104

دوره 23

شماره 3 2012

کلمات کلیدی

میزبانی شده توسط پلتفرم ابری doprax.com

copyright © 2015-2023