弹性应变下原子薄膜的电子结构和输运性质的理论和计算研究

项目名称： 弹性应变下原子薄膜的电子结构和输运性质的理论和计算研究

项目编号： No.11204110

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 物理学I

项目作者： 齐景山

作者单位： 江苏师范大学

项目金额： 25万元

中文摘要： 近年来，原子薄膜材料所涌现出的奇异力学行为，以及力、电、磁等多场耦合奇异效应为开发特殊性能的新材料和新器件开辟了极为广阔的途径。特别是，原子薄膜材料中超强度现象的出现为我们通过弹性应变工程来调控材料的物理和化学性质提供了巨大的探索空间。然而，这一新兴领域的研究尚处于起步阶段，许多奇异现象及其背后的物理机制还不清楚。本课题将联合理论和计算模拟的方法，针对六方氮化硼和二硫化钼原子薄膜材料进行系统深入的研究，主要集中在弹性应变对其结构、电子和输运性质的调控，并进一步探索和揭示这些材料的力电耦合性质的物理机制。并且，在研究过程中也会根据需要发展新的计算方法来处理原子薄膜材料在应变下的电子结构问题。在此研究基础上，提出利用弹性应变工程调控原子薄膜材料电子和输运性能的新功能器件原理。这些研究必将加深我们对原子薄膜材料的认识，特别是对力电耦合性质的深入理解，推动这一新兴研究领域的发展。

中文关键词： 二维材料；应变工程；自旋电子学；谷电子学；多场耦合

英文摘要： In recent years, the novel mechanical behavior of atomic membrane materials, as well as mechanical, electrical and magnetic multi-field coupling effect has opened up a very broad way for the development of new materials and devices with special performance. In particular, ultra-strength phenomenon of atomic membrane provides an unprecedented exploration space for us to apply elastic strain engineering to control the physical and chemical properties of materials. However, this emerging field of research is still in its infancy and many novel phenomena and underlying physical mechanism is still unclear. We will combine theory and computational simulation methods to study the hexagonal boron nitride and molybdenum disulfide atomic monolayer. Our study will focus on the effect of elastic strain on structure, electronic and transport properties of atomic membranes. And we will further explore and reveal the electro-mechanical coupling effects and underlying physical mechanism. In the study we will also develop new methods to calculate the electronic structure of atomic membrane under strain. On this basis, we will propose the new principle for designing functional devices by applying elastic strain engineering to control the electronic and transport properties of atomic membrane. These studies will deepen our underst

英文关键词： two-dimensional materials；strain engineering；spintronics；valleytronics；multifield coupling