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Electron localization in the insulating state: Application to crystalline semiconductors
Open accessAbstract
We measure electron localization in different materials by means of a ``localization tensor'', based on Berry phases and related quantities. We analyze its properties, and we actually compute such tensor from first principles for several tetrahedrally coordinated semiconductors. We discuss the trends in our calculated quantity, and we relate our findings to recent work by other authors. We also address the ``hermaphrodite orbitals'', which are localized (Wannier-like) in a given direction, and delocalized (Bloch-like) in the two orthogonal directions: our tensor is related to the optimal localization of these orbitals. We also prove numerically that the decay of the optimally localized hermaphrodite orbitals is exponential.
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Cites
Analysis of separable potentials
Gonze, X., Stumpf, R., & Scheffler, M. (1991) · Physical Review B · doi:10.1103/physrevb.44.8503 · Cited by 605
Macroscopic polarization as a geometric quantum phase: Many-body formulation
Ortiz, G., & Martin, R. M. (1994) · Physical Review B · doi:10.1103/physrevb.49.14202 · Cited by 259
Cited by
Maximally localized Wannier functions: Theory and applications
Marzari, N., Mostofi, A. A., Yates, J. R., Souza, I., & Vanderbilt, D. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.1419 · Cited by 3,283
Benalcazar, W. A., Bernevig, B. A., & Hughes, T. L. (2017) · Physical Review B · doi:10.1103/physrevb.96.245115 · Cited by 1,389
Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials
Gresch, D., Autès, G., Yazyev, O. V., Troyer, M., Vanderbilt, D., Bernevig, B. A., & Soluyanov, A. A. (2017) · Physical Review B · doi:10.1103/physrevb.95.075146 · Cited by 438
Mapping topological order in coordinate space
Bianco, R., & Resta, R. (2011) · Physical Review B · doi:10.1103/physrevb.84.241106 · Cited by 310
Self-citationThe insulating state of matter: a geometrical theory
Resta, R. (2011) · The European Physical Journal B · doi:10.1140/epjb/e2010-10874-4 · Cited by 305
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Metadata
- Authors
- Sgiarovello, C., Peressi, M., & Resta, R.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2001-08-27
- Volume
- 64
- Issue
- 11
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2016736075
- Cited by
- 158
- References
- 2
- FWCI
- 5.89
- Type
- journal article
- Language
- en
- Open access
- green
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- Sgiarovello, C., Peressi, M., & Resta, R. (2001). Electron localization in the insulating state: Application to crystalline semiconductors. Physical Review B. https://doi.org/10.1103/physrevb.64.115202
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