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Register a new userEnhancement of Ion Diffusion by Targeted Phonon Excitation
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Ion diffusion is important in a variety of applications, yet fundamental understanding of the diffusive process in solids is still missing, especially considering the interaction of lattice vibrations (phonons) and the mobile species. In this work, we introduce two formalisms that determine the individual contributions of normal modes of vibration (phonons) to the diffusion of ions through a solid, based on (i) Nudged Elastic Band (NEB) calculations and (ii) molecular dynamics (MD) simulations. The results for a model ion conductor of $rm{Ge}$-substituted $rm{Li_3PO_4}$ ($rm{Li_{3.042}Ge_{0.042}P_{0.958}O_4}$) revealed that more than 87% of the $rm{Li^+}$ ion diffusion in the lattice originated from a subset of less than 10% of the vibrational modes with frequencies between 8 and 20 THz. By deliberately exciting a small targeted subset of these contributing modes (less than 1%) to a higher temperature and still keeping the lattice at low temperature, we observed an increase in diffusivity by several orders of magnitude, consistent with what would be observed if the entire material (i.e., all modes) were excited to the same high temperature. This observation suggests that an entire material need not be heated to elevated temperatures to increase diffusivity, but instead only the modes that contribute to diffusion, or more generally a reaction/transition pathway, need to be excited to elevated temperatures. This new understanding identifies new avenues for increasing diffusivity by engineering the vibrations in a material, and/or increasing diffusivity by external stimuli/excitation of phonons (e.g., via photons or other interactions) without necessarily changing the compound chemistry.
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Quest for new states of matter near an ordered phase is a promising route for making modern physics forward. By probing thermal properties of a ferroelectric (FE) crystal Ba1-xSrxAl2O4, we have clarified that low-energy excitation of acoustic phonons is remarkably enhanced with critical behavior at the border of the FE phase. The phonon spectrum is significantly damped toward the FE phase boundary and transforms into glasslike phonon excitation which is reminiscent of a boson peak. This system thus links long-standing issues of amorphous solids and structural instability in crystals to pave the way to controlling lattice fluctuation as a new tuning parameter.
Deliberate control of magnon transportation will lead to an energy-efficient technology for information transmission and processing. Y3Fe5O12(YIG), exhibiting extremely large magnon diffusion length due to the low magnetic damping constant, has been intensively investigated for decades. While most of the previous works focused on the determination of magnon diffusion length by various techniques, herein we demonstrated how to tune magnon diffusion by light excitation. We found that the diffusion length of thermal magnons is strongly dependent on light wavelength when the magnon is generated by exposing YIG directly to laser beam. The diffusion length, determined by a nonlocal geometry at room temperature, is ~30 um for the magnons produced by visible light (400-650 nm), and ~136-156 um for the laser between 808 nm and 980 nm. The diffusion distance is much longer than the reported value. In addition to thermal gradient, we found that light illumination affected the electron configuration of the Fe3+ ion in YIG. Long wavelength laser triggers a high spin to low spin state transition of the Fe3+ ions in FeO6 octahedron. This in turn causes a substantial softening of the magnon thus a dramatic increase in diffusion distance. The present work paves the way towards an efficient tuning of magnon transport behavior which is crucially important for magnon spintronics.
This is the abstract. The results of measurements of X-ray photoelectron spectra (XPS) of a-SiO2-host material after pulsed implantation with [Mn+] and [Co+, Mn+]-ions as well as DFT-calculations are presented. The low-energy shift is found in XPS Si 2p and O 1s core-levels of single [Mn+] and dual [Co+, Mn+] pulsed ion-implanted a-SiO2 (E = 30 keV, D = 2*10^17 cm^-2) with respect to those of untreated a-SiO2.The similar changes are found in XPS Si 2p and O 1s of stishovite compared to those of quartz. This means that the pulsed ion-implantation induces the local high pressure effect which leads to an appearance of SiO6-structural units in alpha-SiO2 host, forming stishovite-like local atomic structure. This process can be described within electronic bonding transition from the four-fold quartz-like to six-fold stishovite-like high-pressure phase in SiO2 host-matrix. It is found that such octahedral conversion depends on the fluence and starts with doses higher than D = 3*10^16 cm^-2.
Thermal management is extremely important for designing high-performance devices. The lattice thermal conductivity of materials is strongly dependent on the structural defects at different length scales, particularly point defects like vacancies, line defects like dislocations, and planar defects such as grain boundaries. Traditionally, the McKelvey-Shockley phonon Boltzmanns transport equation (BTE) method combined with molecular dynamics simulations has been widely used to evaluate the phonon mean free paths (MFPs) in defective systems. However, this method can only provide the aggregate MFPs of the whole sample. It is, therefore, challenging to extract the MFPs in the different regions with different thermal properties. In this study, the 1D McKelvey-Shockley phonon BTE method was extended to model inhomogeneous materials, where the effect of defects on the phonon MFPs is explicitly obtained. Then, the method was used to study the phonon interactions with the core structure of an edge dislocation. The phonon MFPs in the dislocation core were obtained and consistent with the analytical model such that high frequency phonons are likely to be scattered in this area. This method not only advances the knowledge of phonon-dislocation scattering but also shows the potential to investigate phonon transport behaviors in more complicated materials.
It has recently been indicated that the hexagonal manganites exhibit Higgs- and Goldstone-like phonon modes that modulate the amplitude and phase of their primary order parameter. Here, we describe a mechanism by which a silent Goldstone-like phonon mode can be coherently excited, which is based on nonlinear coupling to an infrared-active Higgs-like phonon mode. Using a combination of first-principles calculations and phenomenological modeling, we describe the coupled Higgs-Goldstone dynamics in response to the excitation with a terahertz pulse. Besides theoretically demonstrating coherent control of crystallographic Higgs and Goldstone excitations, we show that the previously inaccessible silent phonon modes can be excited coherently with this mechanism.
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