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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Recent Progress in Two‐Dimensional Ferroelectric Materials
TL;DR: In this paper, a transverse Ising model was applied to analyze the finitesize effect in 2D ferroelectric films, and the authors showed that when the thickness of a thin film is below several to tens of nanometers, spontaneous polarization for traditional perovskite oxide usually disappears with a dropped transition temperature due to the reduced long-range Coulomb coupling, significantly enhanced depolarizing electrostatic field, surface-reconstruction caused by the surface energy, electron screening and interfacial bonding related strain, the chemical environment, etc.
Journal ArticleDOI
Piezoelectricity in two-dimensional group-III monochalcogenides
Wenbin Li,Ju Li +1 more
TL;DR: In this article, it was found that several layer-phase group-III monochalcogenides, including GaS, GaSe, and InSe, are piezoelectric in their monolayer form.
Journal ArticleDOI
Colloquium: Strong-field phenomena in periodic systems
TL;DR: In this article, a review of recent experimental advances in the study of strong-field dynamics in crystals and nanostructures is presented, along with several avenues toward measuring and controlling electronic processes up to petahertz frequencies.
Journal ArticleDOI
Room temperature in-plane ferroelectricity in van der Waals In2Se3
Changxi Zheng,Changxi Zheng,Lei Yu,Lin Zhu,James L. Collins,James L. Collins,Dohyung Kim,Yaoding Lou,Chao Xu,Meng Li,Zheng Wei,Yupeng Zhang,Mark T. Edmonds,Mark T. Edmonds,Shiqiang Li,Jan Seidel,Ye Zhu,Jefferson Zhe Liu,Wen-Xin Tang,Michael S. Fuhrer,Michael S. Fuhrer +20 more
TL;DR: In this article, the in-plane ferroelectricity in a vdW layered material, β'-In2Se3, has been shown to be stable to 200°C in both bulk and thin exfoliated layers.
Journal ArticleDOI
A database to enable discovery and design of piezoelectric materials
TL;DR: First-principles calculations based on density functional perturbation theory are employed to compute the piezoelectric tensors for nearly a thousand compounds, thereby increasing the available data for this property by more than an order of magnitude.
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