Microscopic response to inhomogeneous deformations in curvilinear coordinates

Nature Communications

Volumn 4, Issue , 2013, Pages

  Stengel, Massimiliano ^a,b  

^a INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

^b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATE; INHOMOGENEITY; MICROSCOPY; PERIODICITY; POLARIZATION;

ARTICLE; CONCEPTUAL FRAMEWORK; CRYSTAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL PERTURBATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD; MATHEMATICAL ANALYSIS; MICROSCOPY; PERIODICITY; POLARIZATION; STATIC ELECTRICITY; SURFACE CHARGE; SURFACE PROPERTY;

EID: 84889251560     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms3693     Document Type: Article

References (35)

1. Cross, L. E. Flexoelectric effects: charge separation in insulating solids subjected to elastic strain gradients. J. Mater. Sci. 41, 53-63 (2006).
2. Zubko, P., Catalan, G. &Tagantsev, A. K. Flexoelectric effect in solids. Annu. Rev. Mater. Res. 43, 387-421 (2013).
3. Zubko, P., Catalan, G., Buckley, A., Welche, P. R. L. &Scott, J. F. Straingradient- induced polarization in SrTiO3 single crystals. Phys. Rev. Lett. 99, 167601 (2007).
4. Catalan, G. et al. Flexoelectric rotation of polarization in ferroelectric thin films. Nat. Mater. 10, 963-967 (2011).
5. Lu, H. et al. Mechanical writing of ferroelectric polarization. Science 336, 59-61 (2012).
6. Park, S.-I. et al. Light emission characteristics and mechanics of foldable inorganic light-emitting diodes. Adv. Mater. 22, 3062-3066 (2010).
7. Lew Yan Voon, L. C. &Willatzen, M. Electromechanical phenomena in semiconductor nanostructures. J. Appl. Phys. 109, 031101 (2011).
8. Stengel, M. &Spaldin, N. A. Origin of the dielectric dead layer in nanoscale capacitors. Nature 443, 679-682 (2006).
9. Stengel, M., Vanderbilt, D. &Spaldin, N. A. Enhancement of ferroelectricity at metal/oxide interfaces. Nat. Mater. 8, 392-397 (2009).
10. Tagantsev, A. K. Piezoelectricity and flexoelectricity in crystalline dielectrics. Phys. Rev. B 34, 5883-5889 (1986).
11. Tagantsev, A. K. &Yurkov, A. S. Flexoelectric effect in finite samples. J. Appl. Phys. 112, 044103 (2012).
12. Resta, R. Towards a bulk theory of flexoelectricity. Phys. Rev. Lett. 105, 127601 (2010).
13. Ortix, C., Kiravittaya, S., Schmidt, O. G. &van den Brink, J. Curvature-induced geometric potential in strain-driven nanostructures. Phys. Rev. B 84, 045438 (2011).
14. Kalinin, S. V. &Meunier, V. Electronic flexoelectricity in low-dimensional systems. Phys. Rev. B 77, 033403 (2008).
15. Guinea, F., Katsnelson, M. I. &Geim, A. K. Energy gaps and a zero-field quantum hall effect in graphene by strain engineering. Nat. Phys. 6, 30-33 (2010).
16. Baroni, S., de Gironcoli, S. &Corso, A. D. Phonons and related crystal properties from density-functional perturbation theory. Rev. Mod. Phys. 73, 515-562 (2001).
17. Hamann, D. R., Wu, X., Rabe, K. M. &Vanderbilt, D. Metric tensor formulation of strain in density-functional perturbation theory. Phys. Rev. B 71, 035117 (2005).
18. Stengel, M. Flexoelectricity from density-functional perturbation theory. Preprint at http://arxiv.org/abs/1306.4240 (2013).
19. Hong, J. &Vanderbilt, D. First-principles theory of frozen-ion flexoelectricity. Phys. Rev. B 84, 180101(R) (2011).
20. Pendry, J. B., Schurig, D. &Smith, D. R. Controlling electromagnetic fields. Science 312, 1780-1782 (2006).
21. Yan, W., Yan, M., Ruan, Z. &Qiu, M. Coordinate transformations make perfect invisibility cloaks with arbitrary shape. N. J. Phys. 10, 043040 (2008).
22. Leonhardt, U. &Philbin, T. G. General relativity in electrical engineering. N. J. Phys. 8, 247 (2006).
23. Stengel, M., Spaldin, N. A. &Vanderbilt, D. Electric displacement as the fundamental variable in electronic-structure calculations. Nat. Phys. 5, 304-308 (2009).
24. Toupin, R. The elastic dielectric. Indiana Univ. Math. J. 5, 849-915 (1956).
25. Suo, Z., Zhao, X. &Greene, W. A nonlinear field theory of deformable dielectrics. J. Mech. Phys. Solids 56, 467-486 (2008).
26. Umari, P., Corso, A. D. &Resta, R. Inside dielectrics: microscopic and macroscopic polarization. AIP Conf. Proc. 582, 107-117 (2001).
27. Baldereschi, A., Baroni, S. &Resta, R. Band offsets in lattice-matched heterojunctions: A model and first-principles calculations for GaAs/AlAs. Phys. Rev. B 61, 734-737 (1988).
28. Junquera, J., Cohen, M. H. &Rabe, K. M. Nanoscale smoothing and the analyis of interfacial charge and dipolar densities. J. Phys. Condens.Matter. 19, 213203 (2007).
29. Stengel, M., Aguado-Puente, P., Spaldin, N. A. &Junquera, J. Band alignment at metal/ferroelectric interfaces: Insights and artifacts from first principles. Phys. Rev. B 83, 235112 (2011).
30. Resta, R., Colombo, L. &Baroni, S. Absolute deformation potentials in semiconductors. Phys. Rev. B 41, 12358-12361 (1990).
31. Hong, J. &Vanderbilt, D. First-principles theory and calculation of flexoelectricity. Preprint at http://arxiv.org/abs/1307.0132 (2013).
32. Ma, W. &Cross, L. E. Flexoelectric polarization of barium strontium titanate in the paraelectric state. Appl. Phys. Lett. 81, 3440-3442 (2002).
33. Hong, J., Catalan, G., Scott, J. F. &Artacho, E. The flexoelectricity of barium and strontium titanates from first principles. J. Phys. Condens. Matter. 22, 112201 (2010).
34. Maranganti, R. &Sharma, P. Atomistic determination of flexoelectric properties of crystalline dielectrics. Phys. Rev. B 80, 054109 (2009).
35. Naumov, I., Bratkovsky, A. M. &Ranjan, V. Unusual flexoelectric effect in twodimensional noncentrosymmetric sp2-bonded crystals. Phys. Rev. Lett. 102, 217601 (2009).