Theory of polarization of crystalline solids
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.
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The electronic polarization is just eγ/2π.
“in fact the electronic polarization is just eγ/ 2 π (50).”
From Three-Dimensional Topological Insulators (2011) · cites this paper as [50]
The recent proposals that many Heusler compounds may be topological insulators, together with the antiferromagnetic order in GdBiPt below 9 K, suggest a possible candidate for the state proposed here.
“The recent proposals that many Heusler compounds may be topological insulators, 20,21 together with the antiferromagnetic order in GdBiPt below 9 K, 19 suggest a possible candidate for the state proposed here.”
From Antiferromagnetic topological insulators (2010) · cites this paper as [21]
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- Authors
- King-Smith, R. D., & Vanderbilt, D.
- Affiliations
- Rutgers, The State University of New Jersey (US)
- ORCID
- Vanderbilt, David
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1993-01-15
- Volume
- 47
- Issue
- 3
- Pages
- 1651-1654
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2074950413
- Cited by
- 4,472
- References
- 15
- Citations by year
- 2026: 286 · 2025: 351 · 2024: 342 · 2023: 290 · 2022: 264 · 2021: 293 · 2020: 339 · 2019: 239 · 2018: 232 · 2017: 190 · 2016: 168 · 2015: 150 · 2014: 141 · 2013: 118 · 2012: 102
- FWCI
- 9.07
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Physical review. B, Condensed matter (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Materials Science › Materials Chemistry › Ferroelectric and Piezoelectric Materials
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Electrical and Electromagnetic Research
- Keywords
- Kohn-Sham Hamiltonian, Wannier functions, piezoelectric tensor, GaAs, pseudopotential calculations
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