Phonon transport in barium titanate

Mante, A.J.H.; Volger, J.

doi:10.1016/0031-8914(71)90164-9

Cited by 48 publications

(50 citation statements)

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“…A proof-of-concept of this idea has been experimentally observed in different ferroelectrics and DW configurations. Mante et al 9 first and Weilert et al 10,11 15 To this end, we obtained the atomic force constants from second-principles model potentials 16 and performed harmonic (ballistic) phonon transport simulations within the nonequilibrium Green's functions formalism. The calculations revealed an unprecedented polarization-dependent phonon scattering mechanism occurring at PbTiO 3 180 • DWs capable to longitudinally polarize a thermal flux when piercing several DWs.…”

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confidence: 99%

A phononic switch based on ferroelectric domain walls

et al. 2017

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The ease with which domain walls (DWs) in ferroelectric materials can be written and erased provides a versatile way to dynamically modulate heat fluxes. In this work we evaluate the thermal boundary resistance (TBR) of 180$^{\circ}$ DWs in prototype ferroelectric perovskite PbTiO$_3$ within the numerical formalisms of nonequilibrium molecular dynamics and nonequilibrium Green's functions. An excellent agreement is obtained for the TBR of an isolated DW derived from both approaches, which reveals the harmonic character of the phonon-DW scattering mechanism. The thermal resistance of the ferroelectric material is shown to increase up to around 20%, in the system sizes here considered, due to the presence of a single DW, and larger resistances can be attained by incorporation of more DWs along the path of thermal flux. These results, obtained at device operation temperatures, prove the viability of an electrically actuated phononic switch based on ferroelectric DWs

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confidence: 99%

A phononic switch based on ferroelectric domain walls

et al. 2017

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“…Such interfaces, also known as domain walls (DWs), are today routinely created, moved and annihilated by application of local electric fields, [9][10][11] a possibility that renders them potential candidates to dynamically manipulate phonons with electrical signals and to enable in-situ reconfigurable thermal circuiting within a given material volume. In fact, DW thermal transport engineering was already attempted in the last decades in ferroelastics [12,13] and ferroelectrics such as BaTiO 3 [14] and KH 2 PO 4 [7,15] obtaining a remarkable modulation of the conductivity by means of strain and electrical alteration of the DW density in the crystals. Today the focus is on ferroelectric thin films that permit a precise control of the spacing between DWs which, in turn, makes it possible to control the dominant scattering mechanism: For DW separations comparable or below the average phonon mean-free path, the phonon transport is dominated by the walls scattering rather than by anharmonic phonon-phonon interactions.…”

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confidence: 99%

Ferroelectric domain wall phonon polarizer

Royo

Escorihuela-Sayalero

Íñiguez

et al. 2017

Phys. Rev. Materials

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Modulating the polarization of a beam of quantum particles is a powerful method to tailor the macroscopic properties of the ensuing energy flux as it directly influences the way in which its quantum constituents interact with other particles, waves or continuum media. Practical polarizers, being well developed for electric and electromagnetic energy, have not been proposed to date for heat fluxes carried by phonons. Here we report on atomistic phonon transport calculations demonstrating that ferroelectric domain walls can operate as phonon polarizers when a heat flux pierces them. Our simulations for representative ferroelectric perovskite PbTiO3 show that the structural inhomogeneity associated to the domain walls strongly suppresses transverse phonons, while longitudinally polarized modes can travel through multiple walls in series largely ignoring their presence.Controlling heat conduction has always been a challenging task, to the point that our ability to manipulate thermal fluxes lags far behind our long-standing knowhow in manipulating electric and electromagnetic fluxes. In solids, the principal complication in manipulating heat stems from the a priori impossibility to use electrical signals or electromagnetic fields for that purpose. This is because phonons, the dominant heat carriers in insulating materials, do not possess a bare charge.Heat conduction can be instead modulated following basically two fundamentally different approaches. In the first approach, the most extended one, structural inhomogeneities such as atomic-scale defects, materials interfaces or surfaces, are incorporated in a physical material to scatter phonons diffusively and reduce the thermal conductivity. [1,2] In addition to this approach, which exploits the corpuscular nature of phonons, waveinterference phenomena have been recently demonstrated to effectively block the propagation of phonons traveling through periodic superlattices or phononic crystals.[3-5] Interestingly, both approaches offer the possibility to focus on a fixed frequency window, i.e., to perform a frequency filtering effect, by choosing the size of the structural inhomogeneities or their periodicity.However, candidate systems to effectively filter phonons of a certain polarization, the so-called phonon polarizers, are yet to come forth. The only previous hints of a mode-dependent phonon scattering have been observed by means of ballistic phonon imaging techniques at very low temperatures (< 3 K) in highly dislocated LiF crystals [6] and in an exotic ferroelectric as KH 2 PO 4 .[7] Nevertheless, in these systems a clear polarizer effect capable to discern between, at least, longitudinal and transverse phonons, was not observed. It has also been suggested that material interfaces enclosing a molecular selfassembled monolayer should exhibit a phonon-polarizing effect due to the anisotropy in the bond strength across the length and breadth of the monolayer, [8] but such a conjecture has not been experimentally nor numerically proved. The polarization of phonons inf...

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“…In addition to the inter-layer scattering effects observed in Sr 2 Nb 2 O 7 crystals, ferroelastic domain walls have been identified as an additional type of coherent interface that can scatter phonons both at cryogenic [13] and room temperatures [16]. Before reviewing this work, however, we begin with an overview of domains and domain walls in ferroelectric materials.…”

Section: Domains and Domain Walls/boundariesmentioning

confidence: 99%

“…There have been a few different studies focused on the scattering of phonons at ferroelastic domain walls in the literature. One of the first published works was that of Mante and Volger on barium titanate (BaTiO 3 ) single crystals [13]. The observed increase in thermal conductivity with an applied electric field was attributed to the reduction in the number of ferroelastic domain walls present, as it was already well known that BaTiO 3 single crystals can be made single-domain (or close to it) via suitable applied electric field strengths.…”

Section: Phonon Scattering At Domain Walls/boundariesmentioning

confidence: 99%

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Dynamic Control of Thermal Transport via Phonon Scattering at Ferroelastic Domain Walls

Foley

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The memories and moments that I've shared with all of you during my time in Charlottesville will be cherished for the rest of my life. A special thanks to all of my friends outside of Charlottesville that have lent their support from afar; the Gregoires, the Hardimans, the Foleys, the DeParis, the Donovans, the Brusos, the Mattons, Laura Day, Aleena Bando and the rest of the Worcester Homeloaf. Additionally, a huge thank you to my good friend and fellow WPI alumnus, Hans Jensen. Last but certainly not least, I would like to thank my amazing family and girlfriend, Caitlin, for all of the love and support that you have provided. To my parents, Jack and Robin: thank you for always being there for me both in good times and in bad, and for molding me into the man that I am today. I love you both so much and am so very proud to be your son. To my sisters, Lindsay and Mara: you are both so important to me and your love and support motivates me to be the best big brother that I possibly can. The three of us make a great team and I love you both so very much. To my extended family, all the Foleys, Mouchons and Collins: thank you all for all your love and support throughout my life. And to my girlfriend, Caitlin: words can hardly express how much I appreciate you being by my side and supporting me over the past seven years, especially the last five during my PhD. I love you so very, very much and look forward to our next adventure together! iii Contents Acknowledgements i cive field (±E c), saturation polarization (±P sat) and remanent polarization (±P r). Arrows indicate the progression of the applied electric field, sweeping from zero field to maximum positive field, then maximum negative field, and then back to zero field.

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Phonon transport in barium titanate

Cited by 48 publications

References 24 publications

A phononic switch based on ferroelectric domain walls

A phononic switch based on ferroelectric domain walls

Ferroelectric domain wall phonon polarizer

Dynamic Control of Thermal Transport via Phonon Scattering at Ferroelastic Domain Walls

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