A beginner's guide to the modern theory of polarization
arXiv:1202.1831 · doi:10.1016/j.jssc.2012.05.010
Abstract
The so-called {\it Modern Theory of Polarization}, which rigorously defines the spontaneous polarization of a period solid and provides a route for its computation in electronic structure codes through the Berry phase, is introduced in a simple qualitative discussion.
References in corpus (2)
Cited by in corpus (96)
- CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations
- almaBTE: a solver of the space-time dependent Boltzmann transport equation for phonons in structured materials
- `Ferroelectric' Metals Reexamined: Fundamental Mechanisms and Design Considerations for New Materials
- Bulk-boundary correspondence from the inter-cellular Zak phase
- The potentially multiferroic Aurivillius phase BiFeTiO: cation site preference, electric polarization, and magnetic coupling from first principles
- Topological and geometrical aspects of band theory
- Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
- The effect of intrinsic point defects on ferroelectric polarization behavior of SrTiO
- Thermodynamics and dielectric response of by data-driven modeling
- Bulk-edge correspondence in the trimer Su-Schrieffer-Heeger model
- i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
- Trilinear coupling driven ferroelectricity in HfO
- Modulated Interlayer Exciton Properties in a Two-Dimensional Moire Crystal
- First-principles studies of multiferroic and magnetoelectric materials
- On the matter of topological insulators as magnetoelectrics
- Polarizing oxygen vacancies in insulating metal oxides under high electric field
- Spectroscopy from Machine Learning by Accurately Representing the Atomic Polar Tensor
- All-Electron, Real-Space Perturbation Theory for Homogeneous Electric Fields: Theory, Implementation, and Application within DFT
- Charged domain walls in improper ferroelectric hexagonal manganites and gallates
- Cyclic Density Functional Theory : A route to the first principles simulation of bending in nanostructures
- Interplay between Ferroelectricity and Metallicity in BaTiO
- On the happiness of ferroelectric surfaces and its role in water dissociation: the example of bismuth ferrite
- Switchable Rashba Anisotropy in Two-dimensional Hybrid Organic-Inorganic Perovskite by Hybrid Improper Ferroelectricity
- Robust determination of maximally-localized Wannier functions
- Layer and spontaneous polarizations in perovskite oxides and their interplay in multiferroic bismuth ferrite
- Chemical bonding origin of the thermoelectric power factor in Half-Heusler semiconductors
- Measuring the dynamics of a first order structural phase transition between two configurations of a superradiant crystal
- Entropy governs the structure and reactivity of water dissociation under electric fields
- Manipulation of Spin Transport in Graphene/Transition Metal Dichalcogenide Heterobilayers upon Twisting
- ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors
- Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra
- Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components
- Magnonics vs. Ferronics
- MPFit: A robust method for fitting atomic resolution images with multiple Gaussian peaks
- Ferroelectric higher-order topological insulator in two dimensions
- Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization
- Topological invariants to characterize universality of boundary charge in one-dimensionalinsulators beyond symmetry constraints
- Modeling electronic response properties with an explicit-electron machine learning potential
- Axion-matter coupling in multiferroics
- Origin and evolution of ferroelectricity in the layered rare-earth-titanate, TiO, Lichtenberg phases
- Polarization rotation in BiTiO by isovalent doping at the fluorite sublattice
- Rashba dominated spin-splitting in the bulk ferroelectric oxide perovskite KIO3
- Non-equilibrium simulations of thermally induced electric fields in water
- Surface charge theorem and topological constraints for edge states: An analytical study of one-dimensional nearest-neighbor tight-binding models
- Octahedral tilting and ferroelectricity in RbANb2O7 (A = Bi, Nd) from first principles
- Scaling of the bulk polarization in extended and localized phases of a quasiperiodic model
- Ferroelectricity in strained HfCF monolayer
- Kohn's localisation in disordered fermionic systems with and without interactions
- Manipulation of valley and spin properties in two-dimensional Janus WSiGeZ (Z=N,P, As) through symmetry control
- Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications
- Analogy between the magnetic dipole moment at the surface of a magnetoelectric and the electric charge at the surface of a ferroelectric
- Lecture Notes on Topological Crystalline Insulators
- Direction-Dependent Lateral Domain Walls in Ferroelectric Hafnium Zirconium Oxide and their Gradient Energy Coefficients: A First Principles Study
- Large Enhancements in Optical and Piezoelectric Properties in Ferroelectric Zn1-xMgxO Thin Films through Engineering Electronic and Ionic Anharmonicities
- Magnetostriction and ferroelectric state in AgCrS
- Parseval frames of exponentially localized magnetic Wannier functions
- Hydrostatic pressure response of an oxide two-dimensional electron system
- Symmetry analysis of magnetoelectric effects in perovskite-based multiferroics
- Enhanced magnetoelectric coupling in two-dimensional hybrid multiferroic heterostructures
- Berry Flux Diagonalization: Application to Electric Polarization
- Quantum-Geometric Origin of Out-of-plane Stacking Ferroelectricity
- Machine Learning Inference of Molecular Dipole Moment in Liquid Water
- When Energy and Information Revolutions Meet 2D Janus
- Statistical mechanics approach to the electric polarization and dielectric constant of band insulators
- Two-dimensional Thouless pumping in time-space crystalline structures
- Thermodynamics of a Higher-Order Topological Insulator
- Coexistence of 1D and 2D topology and genesis of Dirac cones in the chiral Aubry-André model
- The influence of proximity induced ferromagnetism, superconductivity and Fermi-velocity on evolution of Berry phase in BiSe topological insulator
- Uncovering vacuum level in infinite solid by real-space potential-unfolding
- Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
- Noncentrosymmetric structural transitions in ultrashort ferroelectric AGaO/A'GaO superlattices
- Universal properties of boundary and interface charges in multichannel one-dimensional models without symmetry constraints
- Mixed higher-order topology and nodal and nodeless flat band topological phases in a superconducting multiorbital model
- The effect of Non-centrosymmetricity on optical and electronic properties of cubic BaHfO perovskite structure
- Giant piezoelectricity in group IV monochalcogenides with ferroelectric AA layer stacking
- First-Principles Bulk-Layer Model for Dielectric and Piezoelectric Responses in Superlattices
- Giant Flexoelectricity in Bent Silicon Thinfilms
- Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
- Quantized polarization in a generalized Rice-Mele model at arbitrary filling
- Coupled electricity and magnetism in solids: multiferroics and beyond
- Polarization of chirality
- Strain-Induced Modulation of Spin Splitting and Persistent Spin Textures in Low-Symmetry 2D Hybrid Perovskites: A case study of RP phase
- Guest-induced phase transition leads to polarization enhancement in MHyPbCl3
- Topological defect-mediated corner states and higher-order bulk topology in a two-dimensional crystalline insulator
- Fractional Quantum Multiferroics from Coupling of Fractional Quantum Ferroelectricity and Altermagnetism
- Pressure-induced metal-insulator transition in oxygen-deficient LiNbO-type ferroelectrics
- Efficient spectra from atomistic simulation: a generalized master equation study of the air-water interface
- Interfacial Magnetic Anisotropy of Iron-Adsorbed Ferroelectric Perovskites: First-Principles and Machine Learning Study
- Is it possible to determine unambiguously the Berry phase solely from quantum oscillations?
- Semiconducting nonperovskite ferroelectric oxynitride designed ab initio
- Perspective: From the dipole of a crystallite to the polarization of a crystal
- History of Ferroelectrics -- A Crystallography Perspective
- Multipolar ferroelectricity in the Mott regime
- From generating functions to the geometric Binder cumulant
- Disorder averaging in random lattice models with periodic boundary conditions: Application to models with uncorrelated and correlated disorder
- Two-Scale Analysis of the Electrostatics of Dielectric Crystals: Emergence of Polarization Density and Boundary Charges