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Register a new userProperties of {pi}-mode vibrations in strained carbon chains
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Nonlinear vibrations in strained monoatomic carbon chains are studied with the aid of ab initio methods based on the density functional theory. An unexpected phenomenon of structural transformation at the atomic level above a certain value of the strain was revealed in cumulene chain (carbyne-{beta}). This phenomenon is a consequence of stability loss of the old equilibrium atomic positions that occur at small strain, and appearance of two new stable equilibrium positions near each of them. The aforementioned restructuring gives rise to a softening of {pi}-mode whose frequency tends to zero in a certain region of amplitudes when carbon atoms begin to vibrate near new equilibrium positions. This resembles the concept of soft mode whose freezing is postulated in the theory of phase transitions in crystals to explain the transitions of displacement type. The dynamical modeling of mass point chains whose particles interact via Lennard-Jones potential can approximate our ab initio results well enough. In particular, this study demonstrates an essential role of dipole-dipole interactions between carbon atoms in formation of their new equilibrium positions in the cumulene chain. We believe that computer studying of Lennard-Jones chains enables to predict properties of various dynamical objects in carbon chains (different nonlinear normal modes and their bushes, discrete breathers etc.) which then can be verified by ab initio methods.
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We consider longitudinal nonlinear atomic vibrations in uniformly strained carbon chains with the cumulene structure ($=C=C=)_{n}$. With the aid of ab initio simulations, based on the density functional theory, we have revealed the phenomenon of the $pi$-mode softening in a certain range of its amplitude for the strain above the critical value $eta_{c}approx 11,{%}$. Condensation of this soft mode induces the structural transformation of the carbon chain with doubling of its unit cell. This is the Peierls phase transition in the strained cumulene, which was previously revealed in [Nano Lett. 14, 4224 (2014)]. The Peierls transition leads to appearance of the energy gap in the electron spectrum of the strained carbyne, and this material transforms from the conducting state to semiconducting or insulating states. The authors of the above paper emphasize that such phenomenon can be used for construction of various nanodevices. The $pi$-mode softening occurs because the old equilibrium positions (EQPs), around which carbon atoms vibrate at small strains, lose their stability and these atoms begin to vibrate in the new potential wells located near old EQPs. We study the stability of the new EQPs, as well as stability of vibrations in their vicinity. In previous paper [Physica D 203, 121(2005)], we proved that only three symmetry-determined Rosenberg nonlinear normal modes can exist in monoatomic chains with arbitrary interparticle interactions. They are the above-discussed $pi$-mode and two other modes, which we call $sigma$-mode and $tau$-mode. These modes correspond to the multiplication of the unit cell of the vibrational state by two, three or four times compared to that of the equilibrium state. We study properties of these modes in the chain model with arbitrary pair potential of interparticle interactions.
We numerically investigate and experimentally demonstrate an in-situ topological band transition in a highly tunable mechanical system made of cylindrical granular particles. This system allows us to tune its inter-particle stiffness in a controllable way, simply by changing the contact angles between the cylinders. The spatial variation of particles stiffness results in an in-situ transition of the systems topology. This manifests as the emergence of a boundary mode in the finite system, which we observe experimentally via laser Doppler vibrometry. When two topologically different systems are placed adjacently, we analytically predict and computationally and experimentally demonstrate the existence of a finite-frequency topologically protected mode at their interface.
We have generated and detected the radial-breathing mode of coherent lattice vibrations in single-walled carbon nanotubes using ultrashort laser pulses. Because the band gap is a function of diameter, these diameter oscillations cause ultrafast band gap oscillations, modulating interband excitonic resonances at the phonon frequencies (3-9 THz). Excitation spectra show a large number of pronounced peaks, mapping out chirality distributions in great detail.
Three typical one-dimensional (1D)/quasi-1D nanocarbons, linear carbon chains, carbon nanotubes, and graphene nanoribbons have been proven to grow inside single-wall carbon nanotubes. This gives rise to three types of hybrid materials whose behaviour and properties compared among each other are far from understood. After proving successful the synthesis of these nanostructured materials in recently published work, we have now been able to study their oxidation stability systematically by using resonance Raman spectroscopy. Surprisingly, the linear carbon chains, which have been theoretically predicted to be very unstable, are actually thermally stable up to 500 {deg}C assisted by the protection of the carbon nanotube hosts. Besides, longer linear carbon chains inside narrower CNTs are more stable than the shorter ones inside larger tubes, suggesting that the thermal stability not only depends on the length of linear carbon chains alone, but it is correlated with the confinement of the host tubes in a more complicated manner. In addition, graphene nanoribbons come overall in view as the most stable confined structures. On the other hand, peculiarities like the higher stability of the (6,5) CNT over its (6,4) counterpart allow this study to provide a solid platform for further studies on the application of these 1D nanocarbons (including true 1D linear carbon chains) at ambient conditions.
Hole spins in semiconductors are a potential qubit alternative to electron spins. In nuclear-spin-rich host crystals like GaAs, the hyperfine interaction of hole spins with nuclei is considerably weaker than that for electrons, leading to potentially longer coherence times. Here we demonstrate optical pumping and coherent population trapping for acceptor-bound holes in a strained GaAs epitaxial layer. We find $mu$s-scale longitudinal spin relaxation time T$_1$ and an inhomogeneous dephasing time T$_2^*$ of $sim$7~ns. We attribute the spin relaxation mechanism to a combination effect of a hole-phonon interaction through the deformation potentials and a heavy-hole light-hole mixing in an in-plane magnetic field. We attribute the short T$_2^*$ to g-factor broadening due to strain inhomogeneity. T$_1$ and T$_2^*$ are quantitatively calculated based on these mechanisms and compared with the experimental results. While the hyperfine-mediated decoherence is mitigated, our results highlight the important contribution of strain to relaxation and dephasing of acceptor-bound hole spins.
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