Related papers: A beginner's guide to the modern theory of polariz…
The Modern Theory of Polarization, which rigorously defines the spontaneous electric polarization of a periodic solid and provides a recipe for its computation in electronic structure codes, transformed our understanding of ferroelectricity…
The switching polarization of a ferroelectric is a characterization of the current that flows due to changes in polarization when the system is switched between two states. Computation of this change in polarization in crystal systems has…
It is nowadays a quite diffuse idea that variations of electronic polarisation, as introduced by Resta[1], in condensed matter theory are related to a "Berry phase"[2], as shown by Vanderbilt. The derivation of the latter geometric phase is…
The term "surface polarization" is introduced to describe the in-plane polarization existing at the surface of an insulating crystal when the in-plane surface inversion symmetry is broken. Here, the surface polarization is formulated in…
It is nowadays a quite diffuse idea that variations of polarisation in condensed matter theory are related to a "Berry phase". The derivation of the latter geometric phase is correct $\it{only if}$ the restrictive periodic gauge\cite{KS-V}…
Berry phase polarization calculations have been investigated for several ferroelectric materials from the point of view of practical calculations. It was shown that interpretation of the results is particular to each case due to the…
The dipole moment of any finite and neutral system, having a square-integrable wavefunction, is a well defined quantity. The same quantity is ill-defined for an extended system, whose wavefunction invariably obeys periodic (Born-von Karman)…
We demonstrate that polarization-related quantities in semiconductors can be predicted accurately from first-principles calculations using the appropriate approach to the problem, the Berry-phase polarization theory. For III-V nitrides, our…
The concept of the Zak phase lies at the core of the modern theory of electric polarization. It is defined using the components of the Bloch wave functions in a certain basis, which is not captured by the standard expression for Berry…
A perturbation theory of the static response of insulating crystals to homogeneous electric fields, that combines the modern theory of polarization (MTP) with the variation-perturbation framework is developed, at unrestricted order of…
Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to compute polarization differences within the modern theory of…
We consider the flow of polarization current J(t)=dP/dt produced by a homogeneous electric field E(t) or by rapidly varying some other parameter in the Hamiltonian of a solid. For an initially insulating system and a collisionless time…
Recent theoretical advances have established that the electric polarization in an insulating crystal can be viewed as a multivalued quantity that is determined by certain Berry phases associated with the occupied Bloch bands. The…
We prescribe a novel approach for continuously tailoring the local phase of the nonlinear polarizability which can lead to an arbitrary phase profile for harmonic generations. The introduced phase of the nonlinear polarizability is…
Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…
The phenomenon of the spontaneous electric polarization (ferro- and antiferroelectricity) is one of the fundamental problems of the solid-state physics. Although, there has been lot of experimental and theoretical progress, still needs to…
We present a novel analysis method for measurements of polarization transferred in $A(\vec{e},e'\vec{N})$ experiments, which can be applied to other kinds of polarization measurements as well. In this method the polarization transfer…
When generalized from plane waves to general vector beams, the notion of polarization described by the Stokes parameters turns out to be defined in a momentum-associated system that is fixed by the so-called Stratton vector. As the true…
The many-body Berry phase formula for the macroscopic polarization is approximated by a sum of natural orbital geometric phases with fractional occupation numbers accounting for the dominant correlation effects. This reduced formula…
The quantum-mechanical expression for the polarization of a crystalline solid does not bear any resemblance to the (trivial) expression for the dipole of a bounded crystallite; and in fact it has been proved via a conceptually different…