WebMar 7, 2011 · We found that the Born effective charges and dielectric constants strongly depend on the small atomic displacements involved in the ferroelectric phase transitions. … WebIn atomic physics, the effective nuclear charge is the actual amount of positive charge experienced by an electron in a multi-electron atom. The term "effective" is used because the shielding effect of negatively charged electrons prevent higher energy electrons from experiencing the full nuclear charge of the nucleus due to the repelling effect of inner layer.
[2103.04425] Nonadiabatic Born effective charges in metals and …
WebJul 1, 2024 · Born effective charges The BEC of atom ‘ s ’ is defined as the change in polarization P in the α direction linearly induced by a sublattice displacement u s in the β direction in zero macroscopic electric field [18] as shown below: (2) e Z s ∗ α , β = V ∂ P α ∂ u s , β where e is the electronic charge, V is the unit-cell volume ... WebDr. Cyrus Dreyer and collaborators have found new results for Born effective charges (BECs) in conductors. BECs, defined as the electrical polarization induced by … ttb f513026
Born effective charges: Insulators, metals, and the Drude weight
WebMay 15, 1994 · The high-frequency dielectric-constant tensor and the Born effective charge of ${\mathrm{TiO}}_{2}$ rutile are calculated using variational density-functional perturbation theory. The calculated structural properties and high-frequency dielectric constant show agreement with experiments at the level of a few percent. The Born … WebMar 7, 2024 · Nonadiabatic Born effective charges in metals and the Drude weight. Cyrus E. Dreyer, Sinisa Coh, Massimiliano Stengel. In insulators, Born effective charges describe the electrical polarization induced by the displacement of individual atomic sublattices. Such a physical property is at first sight irrelevant for metals and doped semiconductors ... WebMar 1, 2024 · Born effective charges and vibrational spectra in super and bad conducting metals. Cooperative phenomena like superconductivity and charge-density wave arise from the interaction between electrons mediated, e.g., by the electron-phonon coupling. The same interaction mechanisms produce strong collision rates in the normal phase of … phoebe putney health system insurance