Unusual dielectric response in B-site size-disordered hexagonal transition metal oxides

Choudhury, Debraj ; Venimadhav, Adyam ; Kakarla, Chandrasekhar ; Delaney, Kris T. ; Sujatha Devi, P. ; Mondal, P. ; Nirmala, R. ; Gopalakrishnan, J. ; Spaldin, Nicola A. ; Waghmare, Umesh V. ; Sarma, D. D. (2010) Unusual dielectric response in B-site size-disordered hexagonal transition metal oxides Applied Physics Letters, 96 (16). 162903_1-162903_3. ISSN 0003-6951

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Official URL: http://apl.aip.org/resource/1/applab/v96/i16/p1629...

Related URL: http://dx.doi.org/10.1063/1.3379293

Abstract

We discover that hexagonal holmium copper titanate (Ho2CuTiO6), has a unique and highly desirable combination of high dielectric constant, low losses, very small temperature coefficient, and low frequency dependence. Our first-principles calculations indicate that these exceptional properties result from a size-difference at the Cu/Ti B-site that suppresses the expected ferroelectric transition, combined with the dominance of intermediate-frequency polar vibrational modes in the dielectric response. Our results suggest that the use of such B-site disorder in alloys of hexagonal transition-metal oxides should generally result in similar robust dielectrics.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Ab Initio Calculations; Copper Compounds; Dielectric Losses; Ferroelectric Materials; Ferroelectric Transitions; Holmium Compounds; Permittivity; Vibrational Modes
ID Code:59354
Deposited On:06 Sep 2011 05:49
Last Modified:16 Jul 2012 07:07

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