材料的第一性原理设计和随后的合成以寻找电子的永久电偶极矩
First-principles design and subsequent synthesis of a material to search for the permanent electric dipole moment of the electron
摘要：
我们描述的第一原理设计和随后的合成的一种新材料的特定功能所需的固态为基础的搜索的永久电偶极矩的electron.We计算表明，钙钛矿结构的铕钛酸钡应表现出所需的大的和压力依赖的铁电极化，本地磁矩，即使在液氦温度和磁有序的情况下。随后的Eu $_{0.5}$ Ba $_{0.5}$ TiO $_3$陶瓷的合成和表征证实了预测的理想性能。
英文摘要：
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 even at liquid helium temperature. Subsequent synthesis and characterization of Eu$_{0.5}$Ba$_{0.5}$TiO$_3$ ceramics confirm the predicted desirable properties.
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