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Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…

Interactions between grain boundaries and domain walls were extensively studied in ferroelectric films and bicrystals. This knowledge, however, has not been transferred to polycrystalline ceramics, in which the grain size represents a…

Materials Science · Physics 2020-02-25 J. Schultheiß , S. Checchia , H. Uršič , T. Frömling , J. E. Daniels , B. Malič , T. Rojac , J. Koruza

Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…

Materials Science · Physics 2019-02-27 Dhritiman Chakraborty , Laura de Sousa Oliveira , Neophytos Neophytou

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

Materials Science · Physics 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

Charge transport across the interfaces in complex oxides attracts a lot of attention because it allows creating novel functionalities useful for device applications. In particular, it has been observed that movable domain walls in epitaxial…

Domain walls in ferroelectric oxides provide fertile ground for the development of next-generation nanotechnology. Examples include domain-wall-based memory, memristors, and diodes, where the unusual electronic properties and the quasi-2D…

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…

Materials Science · Physics 2017-10-03 Miquel Royo , Carlos Escorihuela-Sayalero , Jorge Íñiguez , Riccardo Rurali

Ferroelectric domain walls are boundaries between regions with different polarization orientations in a ferroelectric material. Using first principles calculations, we characterize all different types of domain walls forming on…

Materials Science · Physics 2020-04-16 Đorđe Dangić , Éamonn D. Murray , Stephen Fahy , Ivana Savić

Engineering of ferroelectric domain structures enables direct control over the switching dynamics and is crucial for tuning the functional properties of ferroelectrics for various applications, ranging from capacitors to future…

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…

The research on topological phenomena in ferroelectric materials has revolutionized the way we understand polar order. Intriguing examples are polar skyrmions, vortex/anti-vortex structures and ferroelectric incommensurabilties, which…

Ferroelectrics usually adopt a multi-domain state with domain walls separating domains with polarization axes oriented differently. It has long been recognized that domain walls can dramatically impact the properties of ferroelectric…

Materials Science · Physics 2017-03-15 Shi Liu , R. E. Cohen

The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…

Materials Science · Physics 2019-03-25 S. E. Krasavin , V. A. Osipov

Among the recent discoveries of domain wall functionalities, the observation of electrical conduction at ferroelectric domain walls in the multiferroic insulator BiFeO3 has opened exciting new possibilities. Here, we report evidence of…

Materials Science · Physics 2012-05-02 J. Guyonnet , I. Gaponenko , S. Gariglio , P. Paruch

Domain walls are functionally different from the domains they separate, but little is known about their mechanical properties. Using scanning probe microscopy, we have measured the mechanical response of ferroelectric 180o domain walls and…

Ferroelectric domain walls are quasi-2D systems that show great promise for the development of non-volatile memory, memristor technology and electronic components with ultra-small feature size. Electric fields, for example, can change the…

Modulation of the grain boundary properties in thermoelectric materials that have thermally activated electrical conductivity is crucial in order to achieve high performance at low temperatures. In this work, we show directly that the…

Materials Science · Physics 2021-04-01 Jianyun Cao , Dursun Ekren , Yudong Peng , Feridoon Azough , Ian A. Kinloch , Robert Freer

Enabling on-demand control of heat flow is key for the development of next-generation electronic devices, solid-state heat pumps, and thermal logic. However, precise and agile tuning of the relevant microscopic material parameters for…

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