Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortion in the presence of free charge is the key to the physics of metallized ferroelectrics in particular, and of structurally polar metals more generally. Using first-principles simulations, here we show that a polar distortion resists metallization and the attendant suppression of long-range dipolar interactions in the vast majority of a sample of 11 representative ferroelectrics. We identify a meta-screening effect, occurring in the doped compounds as a consequence of the charge rearrangements associated to electrostatic screening, as the main factor determining the survival of a noncentrosymmetric phase. Our findings advance greatly ou...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
Based on recent advances in first-principles theory, we develop a general model of the band offset a...
peer reviewedABO3 perovskites have fascinated solid-state chemists and physicists for decades becaus...
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such di...
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such di...
The first-principles simulation result of the paper "Free carrier induced ferroelectricity in layere...
Over 50 years ago, Anderson and Blount discussed symmetry-allowed polar distortions in metals, spawn...
Over 50 years ago, Anderson and Blount discussed symmetry-allowed polar distortions in metals, spawn...
Using first-principles density functional calculations, we study the interplay of ferroelectricity a...
Using first-principles density functional calculations, we study the interplay of ferroelectricity a...
We study the interplay of structural and polar distortions in hexagonalYMnO3 and short-period PbTiO3...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
Based on recent advances in first-principles theory, we develop a general model of the band offset a...
peer reviewedABO3 perovskites have fascinated solid-state chemists and physicists for decades becaus...
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such di...
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such di...
The first-principles simulation result of the paper "Free carrier induced ferroelectricity in layere...
Over 50 years ago, Anderson and Blount discussed symmetry-allowed polar distortions in metals, spawn...
Over 50 years ago, Anderson and Blount discussed symmetry-allowed polar distortions in metals, spawn...
Using first-principles density functional calculations, we study the interplay of ferroelectricity a...
Using first-principles density functional calculations, we study the interplay of ferroelectricity a...
We study the interplay of structural and polar distortions in hexagonalYMnO3 and short-period PbTiO3...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
cited By 44International audienceA first-principles-based effective Hamiltonian is used to investiga...
Based on recent advances in first-principles theory, we develop a general model of the band offset a...
peer reviewedABO3 perovskites have fascinated solid-state chemists and physicists for decades becaus...