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Publications

Publication Icon Publication (2016)

La2SrCr2O7: Controlling the tilting distortions of n = 2 Ruddlesden-Popper phases through A-site cation order

R. Zhang, B. M. Abbett, G. Read, F. Lang, T. Lancaster, T. T. Tran, P. S. Halasyamani, S. J. Blundell, N. A. Benedek and M. A. Hayward, Inorganic Chemistry, 55 8951 (2016).

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'Ferroelectric' metals reexamined: Fundamental mechanisms and design considerations for new materials

N. A. Benedek and T. Birol, Journal of Materials Chemistry C, 4 4000. Featured in the 2016 Emerging Investigators issue.

Publication Icon Publication (2016)

Emergent non-centrosymmetry and piezoelectricity driven by oxygen octahedral rotations in n = 2 Dion-Jacobson phase layer perovskites

M. E. Strayer, A. Sen Gupta, H. Akamatsu, S. Lei, N. A. Benedek, V. Gopalan and T. E. Mallouk, Advanced Functional Materials 26 1930

Publication Icon Publication (2015)

Interplay of octahedral rotations and lone pair ferroelectricity in CsPbF3

E. H. Smith, N. A. Benedek and C. J. Fennie, Inorganic Chemistry, 54 8536

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Enhancement of ionic transport in complex oxides through soft lattice modes and epitaxial strain

X. Li and N. A. Benedek, Chemistry of Materials, 27 2647

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Understanding ferroelectricity in layered perovskites: New ideas and insights from theory and experiments

N. A. Benedek, J. M. Rondinelli, H. Djani, P. Ghosez and P. Lightfoot, Dalton Transactions, 44 10543. Invited Perspective article.

Publication Icon Publication (2014)

Origin of ferroelectricity in a family of polar oxides: The Dion-Jacobson phases

N. A. Benedek, Inorganic Chemistry, 53 3769

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Viewpoint: Polarization that holds steady

N. A. Benedek and M. Stengel, Physics, 7 32.This was an invited commentary on a recent advance in the physics of ferrroelectrics.

Publication Icon Publication (2013)

Accelerating functional materials discovery

J. M. Rondinelli, N. A. Benedek, D. E. Freedman, A. Kavner, E. E. Rodriguez, E. S. Toberer and L. W. Martin, American Ceramic Society Bulletin, 92 14

Publication Icon Publication (2013)

Exploiting dimensionality and defect mitigation to create tunable microwave dielectrics

C.-H. Lee, N. D. Orloff, T. Birol, Y. Zhu, V. Goian, E. Rocas, R. Haislmaier, E. Vlahos, J. A. Mundy, L. F. Kourkoutis, Y. Nie, M. D. Biegalski, J. Zhang, M. Bernhagen, N. A. Benedek, Y. Kim, J. D. Brock, R. Uecker, X. X. Xi, V. Gopalan, D. Nuzhnyy, S. Kamba, D. A. Muller, I. Takeuchi, J. C. Booth, C. J. Fennie and D. G. Schlom, Nature, 502 532

Publication Icon Publication (2013)

Crystal-chemical guide for understanding redox energy variations of M2+/3+ couples in polyanion cathodes for Lithium-ion batteries

A. Gutierrez, N. A. Benedek and A. Manthiram, Chemistry of Materials 25 4010

Publication Icon Publication (2013)

Mechanical control of electroresistive switching

Y. Kim, S. J. Kelly, A. Morozovska, E. K. Rahani, E. Strelcov, E. Eliseev, S. Jesse, M. D. Biegalski, N. Balke, N. A. Benedek, D. Strukov, J. Aarts, I. Hwang, S. Oh, J.-S. Choi, T. Choi, B.-H. Park, V. B. Shenoy, P. Maksymovych and S. V. Kalinin, Nano Letters, 13 4068

Publication Icon Publication (2013)

Why are there so few perovskite ferroelectrics?

N. A. Benedek and C. J. Fennie, Journal of Physical Chemistry C, 117 13339. Invited Feature article.

Publication Icon Publication (2013)

Turning ABO3 antiferroelectrics into ferroelectrics: Design rules for practical rotation-driven ferroelectricity in double perovskites and A3B2O7 Ruddlesden-Popper compounds

A. T. Mulder, N. A. Benedek, J. M. Rondinelli and C. J. Fennie, Advanced Functional Materials, 23 4810

Publication Icon Publication (2012)

The magnetoelectric effect in transition metal oxides: Insights and the rational design of new materials from first principles

T. Birol*, N.A. Benedek*, H. Das, A. Wysocki, A. T. Mulder, B. M. Abbett, E. H. Smith, S. Ghosh and C. J. Fennie, Current Opinion in Solid State and Materials Science, 16 227. * Equal contribution.

Publication Icon Publication (2012)

Functional octahedral rotations: a path to new multifunctional materials

N. A. Benedek, A. T. Mulder and C. J. Fennie, Journal of Solid State Chemistry, 195 11

Publication Icon Publication (2012)

Grain boundary stoichiometry and interactions with defects in SrTiO3

B. P. Uberuaga, S. Choudhury, X.-M. Bai and N. A. Benedek, Scripta Materialia, 66 105

Publication Icon Publication (2011)

Interface control of emergent ferroic order in Ruddlesden-Popper Srn+1TinO3n+1

T. Birol, N. A. Benedek and C. J. Fennie, Physical Review Letters, 107 257602. Selected as an Editor's Suggestion.

Publication Icon Publication (2011)

Hybrid improper ferroelectricity: A mechanism for controllable polarization-magnetization coupling

N. A. Benedek and C. J. Fennie, Physical Review Letters, 106 107204. Featured as a Viewpoint in Physics.

Publication Icon Publication (2010)

Atomic scale characterization of the SrTiO3 Σ3(112)[-110] grain boundary

K. J. Dudeck, N. A. Benedek, M. W. Finnis and D. J. H. Cockayne, Physical Review B, 81 134109

Publication Icon Publication (2010)

A genetic algorithm for predicting the structures of interfaces in multicomponent systems

A. L. S. Chua, N. A. Benedek, L. Chen, M. W. Finnis and A. P. Sutton, Nature Materials, 9 418-422

Publication Icon Publication (2010)

The structure of grain boundaries in Strontium Titanate: Theory, simulation and electron microscopy

S. von Alfthan, N. A. Benedek, L. Chen, A. L. S. Chua, D. J. H. Cockayne, et al., Annual Review of Materials Research, 40 557-599. Invited review.

Publication Icon Publication (2008)

Interatomic potentials for Strontium Titanate: An assessment of their transferability and comparison with Density Functional Theory

N. A. Benedek, A. L. S. Chua, C. Elsässer, A. P. Sutton and M. W. Finnis, Physical Review B, 78 064110

Publication Icon Publication (2008)

First Principles Investigation of Polarisation at Interfaces in Multilayered Strontium Titanate

N. A. Benedek, C. Elsässer and M. W. Finnis, Journal of Physics: Conference Series, 94 012005

Publication Icon Publication (2006)

Density Functional Theory study of hydrogen bonding in ionic molecular materials

N. A. Benedek, K. Latham, I. K. Snook and I. Yarovsky, Journal of Physical Chemistry B, 110 19605

Publication Icon Publication (2006)

Quantum Monte Carlo calculations of the dissociation energy of the water dimer

N. A. Benedek, I. K. Snook, M. D. Towler and R. J. Needs, Journal of Chemical Physics, 125 104302

Publication Icon Publication (2005)

Application of numerical basis sets to hydrogen bonded systems: A Density Functional Theory study

N. A. Benedek, I. K. Snook, K. Latham and I. Yarovsky, Journal of Chemical Physics, 122 144102

Publication Icon Publication (2004)

Quantum Monte Carlo study of water molecule: A preliminary investigation

N. A. Benedek, I. Yarovsky, K. Latham and I. K. Snook, Australian Journal of Chemistry, 57 1229-1232

Publication Icon Publication (2003)

Hydrogen bonding in mixed ligand copper organophosphonates

N. A. Benedek, M. J. S. Spencer, K. Latham and I. Yarovsky Chemical Physics Letters, 378 400-405