Institut für Festkörperforschung, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.
Nat Mater. 2010 Aug;9(8):649-54. doi: 10.1038/nmat2799. Epub 2010 Jul 18.
We describe the first-principles design and subsequent synthesis of a new material with the specific functionalities required for a solid-state-based search for the permanent electric dipole moment of the electron. We show computationally that perovskite-structure europium barium titanate should exhibit the required large and pressure-dependent ferroelectric polarization, local magnetic moments and absence of magnetic ordering at liquid-helium temperature. Subsequent synthesis and characterization of Eu(0.5)Ba(0.5)TiO(3) ceramics confirm the predicted desirable properties.
我们描述了一种新的基于第一性原理设计并随后合成的材料，该材料具有固态电子固有电偶极矩搜索所需的特定功能。我们通过计算表明，钙钛矿结构的氧化铕钡钛酸盐应该表现出所需的大且依赖于压力的铁电极化、局域磁矩以及在液氦温度下没有磁序。随后合成和表征的 Eu(0.5)Ba(0.5)TiO(3)陶瓷证实了所预测的理想性能。
