相关论文: Phonon Theory of Martensitic Transformation Precur…

This paper addresses martensitic precursor phenomena from new theoretical and experimental perspectives. Driven by a phonon domain hypothesis, based on the premise of incomplete phonon softening, and employing Born's dynamical approach to…

Defying the conventional wisdom regarding first--order transitions, {\it solid--solid displacive transformations} are often accompanied by pronounced pretransitional phenomena. Generally, these phenomena are indicative of some mesoscopic…

Historically, the soft mode theory of ferroelectric phase transitions has been developed for the high-temperature (paraelectric) phase, where the phonon mode softens upon decreasing the temperature. In the low-temperature ferroelectric…

Topological phase transitions occur when the electronic bands change their topological properties, typically featuring the closing of the bandgap. While the influence of topological phase transitions on electronic and optical properties has…

Symmetry breaking is a central concept of Landau phase transition theory, which, however, only considers time-averaged static symmetry of crystal lattice while neglects dynamic symmetry of lattice vibrations thus fails to explain the…

Ferromagnetic \nmg has unique magnetoelastic properties. These are investigated by detailed computational studies of the phonon dispersion curves for the non-modulated cubic \Ltw and tetragonal structures. For the \Ltw\ structure, a…

Diffusionless phase transitions are at the core of the multifunctionality of (magnetic) shape memory alloys, ferroelectrics and multiferroics. Giant strain effects under external fields are obtained in low symmetric modulated martensitic…

The significance of thermal fluctuations on nucleation in structural first-order phase transitions has been examined. The prototype case of martensitic transitions has been experimentally investigated by means of acoustic emission…

We present a microscopic model of the quantum paraelectric-ferroelectric phase transition with a focus on the influence of coupled fluctuating phonon modes. These may drive the continuous phase transition first order through a metaelectric…

PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this…

We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon interactions to calculate the phonon renormalization of physical…

Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…

We develop a two-dimensional stochastic dissipative theory for the description of the transport of exciton polaritons accounting for their interaction with the environment of acoustic phonons. Our approach is based on the explicit modeling…

Precondensation is a peculiar phenomenon in phase transitions, characterised by the occurrence of a condensate only over a finite range of length scales. It is closely connected to the emergence of domains, pseudo-gapped phases and spatial…

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…

We present an ab initio approach for the calculation of phonon self-energies and their fluctuation diagnostics, which allows us to identify the electronic processes behind phonon anomalies. Application to the transition-metal-dichalcogenide…

The existing techniques of account for the phonon dispersion are computationally costly, while its impact on a variety of thermodynamic properties appears negligible. We develop a mathematical formalism, which allows for clear understanding…

Phonons - quanta of crystal lattice vibrations - reveal themselves in all electrical, thermal and optical phenomena in materials. Nanostructures open exciting opportunities for tuning the phonon energy spectrum and related properties of…

We have developed a simple model for the study of a cubic to tetragonal martensitic transition, under athermal conditions, in systems with a certain amount of disorder. We have performed numerical simulations that allow for a statistical…

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…