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Polar distortions in hydrogen-bonded organic ferroelectrics
2011
Physical Review B
Although ferroelectric compounds containing hydrogen bonds were among the first to be discovered, organic ferroelectrics are relatively rare. The discovery of high polarization at room temperature in croconic acid [Nature 463, 789 (2010)] has led to a renewed interest in organic ferroelectrics. We present an ab-initio study of two ferroelectric organic molecular crystals, 1-cyclobutene-1,2-dicarboxylic acid (CBDC) and 2-phenylmalondialdehyde (PhMDA). By using a distortion-mode analysis we shed
doi:10.1103/physrevb.84.014101
fatcat:v3d4t3wh4zcjretcqv4msduddq