5 papers · 1 filter
Temperature dependent ferroelectricity in strained KTaO3 with machine learned force field
Yu Zhu, Luigi Ranalli, Taikang Chen +2
Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric orde…
First-principles theory of nonlinear long-range electron-phonon interaction
Matthew Houtput, Luigi Ranalli, Carla Verdi +4
Describing electron-phonon interactions in a solid requires knowledge of the electron-phonon matrix elements in the Hamiltonian. State-of-the-art first-principles calculations for…
First-principles theory of nonlinear long-range electron-phonon interaction
Matthew Houtput, Luigi Ranalli, Carla Verdi +4
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalizat…
Electron Mobilities in SrTiO and KTaO: Role of Phonon Anharmonicity, Mass Renormalization and Disorder
Luigi Ranalli, Carla Verdi, Marios Zacharias +3
Accurately predicting carrier mobility in strongly anharmonic solids necessitates a precise characterization of lattice dyndamics as a function of temperature. We achieve consisten…
Temperature-dependent anharmonic phonons in quantum paraelectric KTaO by first principles and machine-learned force fields
Luigi Ranalli, Carla Verdi, Lorenzo Monacelli +3
Understanding collective phenomena in quantum materials from first principles is a promising route toward engineering materials properties on demand and designing new functionaliti…