CAREER: Towards a Deep Microscopic Understanding of Ferroelectric Alloys

在这个职业奖下，这位年轻的PI所支持的研究包括铁电合金的结构、压电和介电性能的研究。 这项研究将使用三种不同但互补的方法进行：（1）用于电子结构计算的非常精确的第一原理技术，（2）有效的哈密顿方法，将第一原理计算的范围扩展到有限温度下的现实系统，以及（3）简单的模型，将提供对某些复杂合金现象的微观理解。 在教育方面，PI计划将计算凝聚态物理学纳入阿肯色州大学的本科和研究生课程。具有大介电常数的材料在技术上非常重要，最突出的是在手持通信（例如在减小手机尺寸方面）行业。 还有其他应用，如压电换能器和致动器，非易失性铁电存储器，热电阵列和非线性光学应用。 这个职业资助将帮助这个PI研究铁电合金和其他具有显著介电性能的材料的性能。 从组成固体的原子中的电子的性质开始，使用复杂的计算技术和计算机，这个PI将建立一个研究计划来研究这些材料。 他还计划在本科和研究生阶段的课程中整合这种组合（计算-计算）方法。

The research supported under this CAREER award to this young PI consists of a study of structural, piezoelectric and dielectric properties of ferroelectric alloys. The study will be conducted using three different although complementary approaches: (1) A very accurate first principles technique for electronic structure calculations, (2) an effective Hamiltonian approach which will extend the reach of first-principles calculations to realistic systems at finite temperatures and (3) simple models which will provide a microscopic understanding of some complex alloy phenomena. In education, the PI is planning to integrate computational condensed matter physics in undergraduate and graduate courses at the University of Arkansas.%%%Materials with large dielectric constants are technologically very important, most prominently in the hand-held communications (for example in reducing the size of cell phones) industry. There are other applications such as piezoelectric transducers and actuators, non-volatile ferroelectric memories, pyroelectric arrays and non-linear optical applications. This CAREER grant will help this PI study the properties of ferroelectric alloys and other materials with notable dielectric properties. Beginning with the properties of electrons in atoms making up the solid, using sophisticated computational techniques and computers, this PI will set up a program of research to study these materials. He also plans to integrate this combined (mathematical-computational) approach in courses at the undergraduate and graduate level.***