Emergent chirality in the electric polarization texture of titanate superlattices

Autor: Pablo García-Fernández, Ramamoorthy Ramesh, Jorge Íñiguez, Shang-Lin Hsu, Anoop R. Damodaran, Elke Arenholz, Jacek C. Wojdeł, Lane W. Martin, Javier Junquera, Ajay K. Yadav, Pablo Aguado-Puente, Padraic Shafer, Christopher T. Nelson

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America, vol 115, iss 5
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Shafer, P; García-Fernández, P; Aguado-Puente, P; Damodaran, AR; Yadav, AK; Nelson, CT; et al.(2018). Emergent chirality in the electric polarization texture of titanate superlattices. Proceedings of the National Academy of Sciences of the United States of America, 115(5), 915-920. doi: 10.1073/pnas.1711652115. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/8tr60640
Shafer, P, García-Fernández, P, Aguado-Puente, P, Damodaran, A R, Yadav, A K, Nelson, C T, Hsu, S L, Wojdeł, J C, Iñiguez, J, Martin, L W, Arenholz, E, Junquera, J & Ramesh, R 2018, ' Emergent chirality in the electric polarization texture of titanate superlattices ', Proceedings of the National Academy of Sciences of the United States of America, vol. 115, no. 5, pp. 915-920 . https://doi.org/10.1073/pnas.1711652115

Chirality is a geometrical property by which an object is not super-imposable onto its mirror image, thereby imparting a handedness. Chirality determines many important properties in nature—from the strength of the weak interactions according to th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::333327950893cfc4c1d139defcc446ae
https://escholarship.org/uc/item/8tr60640

Efficient systematic scheme to construct second-principles lattice-dynamical models

Autor: Carlos Escorihuela-Sayalero, Jorge Íñiguez, Jacek C. Wojdeł

We start from the polynomic interatomic potentials introduced by Wojde{\l} et al. [J. Phys. Condens. Matt. 25, 305401(2013)] and take advantage of one of their key features -- namely, the linear dependence of the energy on the potential's adjustable

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2170240a866356221635c5bc440b2f2

Development of realistic models for Double Metal Cyanide catalyst active sites

Autor: Jacek C. Wojdeł, Stefan T. Bromley, Francesc Illas, Jacobus C. Jansen

Publikováno v: Journal of Molecular Modeling. 13:751-756

Realistic molecular models of one and two-centre catalytic active sites originating from the cleavage of a precursor material known to give rise to an active double metal cyanide catalyst are described. Via periodic density functional calculations th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca734bc315930e56a1f8ffb3406b31ea
https://doi.org/10.1007/s00894-007-0218-3

Negative capacitance in multidomain ferroelectric superlattices

Autor: Jorge Íñiguez, Anaïs Sené, Stephanie Fernandez-Pena, Igor A. Luk'yanchuk, Jean-Marc Triscone, Jacek C. Wojdeł, Pavlo Zubko, Marios Hadjimichael

Publikováno v: Nature, Vol. 534, No 7608 (2016) pp. 524-528

The stability of spontaneous electrical polarization in ferroelectrics is fundamental to many of their current applications, which range from the simple electric cigarette lighter to non-volatile random access memories1. Research on nanoscale ferroel

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f64bfa72474b5df6a758e4e3a85d3bd
https://pubmed.ncbi.nlm.nih.gov/27296225

Efficient calculation of the structural and electronic properties of mixed valence materials: application to Prussian Blue analogues

Autor: Jacek C. Wojdeł, Stefan T. Bromley

Publikováno v: Chemical Physics Letters. 397:154-159

Mixed valence materials containing the same atom type in different spin and/or oxidation states, although displaying great applications potential, present a considerable challenge to accurate efficient electronic structure calculations employing ultr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::52eff10b23b0bad984693b1d188138c9
https://doi.org/10.1016/j.cplett.2004.08.107