2015
DOI: 10.1038/npjcompumats.2015.6
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Searching for new ferroelectrics and multiferroics: A user’s point of view

Abstract: A perspective on computational studies of ferroelectrics and multiferroics is given that emphasises what has yet to be done, along with some subtleties in previously studied systems. Beginning with the extensive data-mining studies of Abrahams and more recently, Rabe, a survey is given of magnetostrictive effects in antiferromagnetic antiferroelectrics (after Toledano and Toledano), which has an nonmagnetic analogy in the antiferroelectric phase of tris-sarcosine calcium chloride and a reminder of the unusual … Show more

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Cited by 24 publications
(20 citation statements)
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“…[1][2][3][4][5][6][7][8][9][10] In those applications, it is critical to understand ferroelectric domain orientations and domain switching through external stimulation, where the domain orientations have an intense influence on ferroelectric properties and the fluctuation of domain volume fractions due to domain switching or backswitching dominates the efficiency and stability of ferroelectric devices. [11][12][13][14][15][16][17][18][19][20][21][22][23] Therefore, the precise determination of ferroelectric domain orientations and their volume fractions is required not only in view of ferroelectric device engineering but also in the corresponding physics mechanism, such as fatigue and retention.…”
Section: Introductionmentioning
confidence: 99%
“…[1][2][3][4][5][6][7][8][9][10] In those applications, it is critical to understand ferroelectric domain orientations and domain switching through external stimulation, where the domain orientations have an intense influence on ferroelectric properties and the fluctuation of domain volume fractions due to domain switching or backswitching dominates the efficiency and stability of ferroelectric devices. [11][12][13][14][15][16][17][18][19][20][21][22][23] Therefore, the precise determination of ferroelectric domain orientations and their volume fractions is required not only in view of ferroelectric device engineering but also in the corresponding physics mechanism, such as fatigue and retention.…”
Section: Introductionmentioning
confidence: 99%
“…[10][11][12][13][14][15][16][17][18] Such quantum phase transitions and fluctuations can be realised and finely tuned by a nontemperature control parameter such as pressure, chemical substitution or magnetic field. A complete understanding of such experimental observations necessaries a full reveal of all possible ground states and especially magnetic-field-driven phase transitions and fluctuations of magnets, which is the central topic of our present study focusing on a theoretical calculation accommodating competitive and cooperative interactions [19][20][21][22][23] for collinear antiferromagnets.…”
Section: Introductionmentioning
confidence: 99%
“…Efficient light-harvesting materials, for example, have been discovered thanks to high-throughput screening approaches [20][21][22][23]. In addition, recent progress in the first-principles discovery of new ferroelectrics could lead the way to a direct bottom-up design of high-yield photoferroic materials [24,25].…”
Section: Introductionmentioning
confidence: 99%