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1.
Phys Chem Chem Phys ; 25(41): 28141-28149, 2023 Oct 25.
Article in English | MEDLINE | ID: mdl-37818623

ABSTRACT

Spintronics is extremely important in the future development of information technology. Notably, two-dimensional carbon materials with atomically thick and p-electron systems have great potential for application in ultrathin spintronic devices. B-graphyne (B-GY) is a recently proposed two-dimensional carbon allotrope with double Dirac cones. It is a promising nanomaterial for high-speed spintronic devices due to its ultra-high Fermi velocity and thermodynamic stability. We tune the electronic and magnetic properties of B-GY by doping 3d transition metals (TM) (Cr, Mn, Fe, Co, Ni) based on first-principles calculations. After doping, TM forms strong covalent bonds (Fe, Co, Ni) and ionic bonds (Cr, Mn) with adjacent C atoms. The system of TM-doped B-GY (TM@B-GY) is transformed from a semimetal for B-GY to a metal (Cr, Mn, Fe, Co), but Ni@B-GY is still semimetal. Among them, Co@B-GY is approximately a half-metal. Moreover, TM (except Ni) can induce the magnetism of B-GY to undergo spin splitting. The TM d-orbitals are strongly coupled to the C p-orbitals, which play an important role in inducing magnetism. The results show that the tunable electronic and magnetic properties of TM@B-GY are promising as a high-speed spintronic device. Our research helps advance the study of semimetallic carbon allotropes in the field of spintronics.

2.
Article in English | MEDLINE | ID: mdl-25768573

ABSTRACT

An overdamped three-layer model consisting of two harmonic chains of interacting particles, representing the upper and the middle layers, which move over the substrate potential, is studied in the present paper. A dc+ac force is applied only on the upper harmonic chain, and dynamics of both layers are investigated. The results show that the dynamical mode locking and Shapiro steps appear not only in the upper layer but also in the middle one. It is noted that the motion of particles in the upper layer corresponds to the standard Frenkel-Kontorova model. The dependence of the Shapiro steps of the middle layer on the system parameters are determined. It is shown that the height of the first Shapiro step of the upper layer is unrelated to the interaction parameters of the particles of both the upper and the middle layers, while the height of the first Shapiro step of the middle layer depend only on the interaction parameters of the particles of the middle layers. Two critical forces which transfer from locked state to the sliding one of both the upper and the middle layers are also studied. They depend on the amplitude and the frequency of the external ac driving force.

3.
J Chem Phys ; 138(3): 034307, 2013 Jan 21.
Article in English | MEDLINE | ID: mdl-23343276

ABSTRACT

We demonstrate the ratchet and phase locking effects in a two-dimensional overdamped Frenkel-Kontorova model with a square symmetric periodic substrate when both a longitudinal dc drive and a circular ac drive are applied. Besides the harmonic steps, the large half integer steps can also clearly be seen in the longitudinal (x) direction. These half integer steps are directly correlated to the appearance of positive and negative ratchet effects in the transverse (y) direction due to the symmetry breaking in the combination of the dc and ac drives. The angle between the net displacement and the longitudinal direction is analytically obtained in a single period of the ac drive. In the examination of the amplitude dependence of the ac drive, the maxima decrease monotonically with the amplitude, while the anomalies occur for the critical depinning force and the harmonic steps due to the spatial symmetry breaking of orbits in the presence of the ac drive.

4.
Phys Rev E Stat Nonlin Soft Matter Phys ; 84(4 Pt 2): 046603, 2011 Oct.
Article in English | MEDLINE | ID: mdl-22181292

ABSTRACT

Dynamical mode-locking phenomena in the incommensurate structures of the dc- and ac-driven overdamped Frenkel-Kontorova model are studied by molecular-dynamics simulations. The obtained results have shown that Shapiro steps exhibit significantly different amplitude and frequency dependence from the one observed in the commensurate structures. Due to the incommensurability of the system the special symmetry of the motion of particles is broken, and in the amplitude dependence of Shapiro steps, this will result in the appearance of anomalies and deviation from the well-known Bessel-like behavior. In the frequency or period dependence, oscillations have been observed in the high-amplitude limit; however, they exhibit strong anomalies compared with those in the commensurate structures. The oscillatory behavior and the anomalies have been also be revealed in the (F(ac),F) and the (ν(0),F) phase diagrams where several phases are defined.

5.
Phys Rev E Stat Nonlin Soft Matter Phys ; 82(5 Pt 1): 051119, 2010 Nov.
Article in English | MEDLINE | ID: mdl-21230449

ABSTRACT

Locked-to-sliding phase transition has been studied in the driven two-dimensional Frenkel-Kontorova model with the square symmetric substrate potential. It is found that as the driving force increases, the system transfers from the locked state to the sliding state where the motion of particles is in the direction different from that of driving force. With the further increase in driving force, at some critical value, the particles start to move in the direction of driving force. These two critical forces, the static friction or depinning force, and the kinetic friction force for which particles move in the direction of driving force have been analyzed for different system parameters. Different scenarios of phase transitions have been examined and dynamical phases are classified. In the case of zero misfit angle, the analytical expressions for static and kinetic friction force have been obtained.

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