Role of Ferrons in the Heat Capacity and Thermal Transport of Displacive Ferroelectrics
arXiv:2501.17833 · doi:10.1103/3y1m-66s1
Abstract
The collective amplitude mode of the order parameter in displacive ferroelectrics, termed the ferron, represents the amplitude fluctuations of long-range ordered polarization. At temperatures well below phase transition temperature , the energy of ferron excitation is significantly gapped in the long-wavelength limit. As is approached, this gap softens dramatically to minimal or gapless values, thereby should lead to a substantial contribution to thermal properties. In this context, we explore the role of ferrons in heat capacity and thermal transport by incorporating a microscopic self-consistent phase-transition theory for displacive ferroelectricity in contrast to the conventional treatment of attributing thermal properties solely to acoustic phonons. Using ferroelectric as a case study, we show that the softening of ferrons near the phase transition is essential to accurately capturing the experimental temperature and electric-field dependencies of thermal properties.
arXiv comment13 pages, 13 figures
References in corpus (13)
- Lattice dynamics of anharmonic solids from first principles
- Temperature dependent effective potential method for accurate free energy calculations of solids
- Temperature dependent effective third order interatomic force constants from first principles
- Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO Perovskite from First Principles
- Thermal Anharmonic Effects in PbTe from First Principles
- Easy collective polarization switching in ferroelectrics
- Excitations of the ferroelectric order
- Theory of Transport in Ferroelectric Capacitors
- Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles
- Local atomic geometry and Ti 1s near-edge spectra in PbTiO and SrTiO
- Hole spin relaxation in bilayer WSe
- Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate
- Spin diffusion in p-type bilayer WSe