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Spin-dependent anisotropic electron-phonon coupling in KTaO3

Published inPhysical review research, vol. 8, no. 1, 013087
First online date2026-01-26
Abstract

KTaO3 (KTO) is an incipient ferroelectric, characterized by a softening of the lowest transverse optical (TO) mode with decreasing temperature. Cooper pairing in the recently discovered KTO-based heterostructures has been proposed to be mediated by the soft TO mode. Here, we study the electron coupling to the zone-center odd-parity modes of bulk KTO by means of relativistic Density Functional Perturbation Theory (DFPT). The coupling to the soft TO mode is by far the largest, with comparable contributions from both intraband and interband processes. Remarkably, we find that for this mode, spin nonconserving matrix elements are particularly relevant. We develop a three-band microscopic model with spin-orbit-coupled t2g orbitals that reproduces the main features of the results. For the highest energy band, the coupling can be understood as a “dynamical” isotropic Rashba effect. In contrast, for the two lowest bands, the Rashba-like coupling becomes strongly anisotropic. The DFPT protocol implemented here enables the calculation of the full electron-phonon coupling matrix projected onto any mode of interest, and it is easily applicable to other systems.

Keywords
  • Rashba-like electron-phonon coupling
  • Oxides
  • KTaO3
  • Density Functional Perturbation Theory
  • Transverse optical modes
  • Ferroelectric fluctuations
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Citation (ISO format)
VENDITTI, Giulia et al. Spin-dependent anisotropic electron-phonon coupling in KTaO3. In: Physical review research, 2026, vol. 8, n° 1, p. 013087. doi: 10.1103/7l88-12m5
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Additional URL for this publicationhttps://link.aps.org/doi/10.1103/7l88-12m5
Journal ISSN2643-1564
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