Journal ArticleDOI
Theory of polarization of crystalline solids
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TLDR
It is shown that physically $\ensuremath{\Delta}P can be interpreted as a displacement of the center of charge of the Wannier functions.Abstract:
We consider the change in polarization \ensuremath{\Delta}P which occurs upon making an adiabatic change in the Kohn-Sham Hamiltonian of the solid. A simple expression for \ensuremath{\Delta}P is derived in terms of the valence-band wave functions of the initial and final Hamiltonians. We show that physically \ensuremath{\Delta}P can be interpreted as a displacement of the center of charge of the Wannier functions. The formulation is successfully applied to compute the piezoelectric tensor of GaAs in a first-principles pseudopotential calculation.read more
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Journal ArticleDOI
Berry phases near degeneracies: Beyond the simplest case
TL;DR: In this article, the authors reviewed the Berry phase with emphasis on the Berry curvature and the Chern number, and discussed the behavior of these quantities and the analytic properties of adiabatically continued wave functions in the vicinity of degeneracies.
Journal ArticleDOI
Polarization enhancement in perovskite superlattices by oxygen octahedral tilts
TL;DR: In this paper, a new mechanism for enhancing the electric polarization by the interface-induced oxygen octahedral tilts in BaTiO 3 /CaTiO3 superlattices was revealed.
Journal ArticleDOI
Evolution of Floquet topological quantum states in driven semiconductors
TL;DR: In this article, the evolution of Floquet topological quantum states for electromagnetically driven semiconductor bulk matter has been studied and the direct physical impact of the mathematical precision of the Floquet-Keldysh theory when solving the driven system of a generalized Hubbard model with the framework of dynamical mean field theory in the non-equilibrium.
Journal ArticleDOI
Scaling of the polarization amplitude in quantum many-body systems in one dimension
TL;DR: In this paper, the amplitude of Resta's electric polarization in one-dimensional systems in terms of the ground-state expectation value of the large gauge transformation operator vanishes in the thermodynamic limit, implying that the system is a conductor.
Journal ArticleDOI
First-principles prediction of coexistence of magnetism and ferroelectricity in rhombohedral Bi2FeTiO6
Hong-Jian Feng,Fa-Min Liu +1 more
TL;DR: In this paper, it was shown that Bi2FeTiO6 is a potential multiferroic in which the magnetism and ferroelectricity coexist, and a ferromagnetic configuration with magnetic moment of 4 μ B per formula unit has been reported with respect to the minimum total energy.
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