Quantum cluster methods for strongly correlated materials

强相关材料的量子簇方法

• 批准号: RGPIN-2015-05598
• 负责人: Sénéchal, David
• 金额: $ 2.19万
• 依托单位: Université de Sherbrooke
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=613639
• 关键词: Quantum; cluster; methods; strongly; correlated

Our understanding of materials has long been based on simple paradigms: metals can be understood in terms of quasi-independent electrons, undergoing occasional collisions; at the other extreme, magnets are understood in terms of the spins of localized electrons. But between these paradigms lies a spectrum of materials that defy comprehension in terms of these simple pictures, even though they may show characteristics of both. High-temperature superconductors, discovered nearly 30 years ago, are the prototype of such "strongly correlated materials". Such materials display a variety of fascinating properties, from superconductivity to exotic magnetism, charge order, etc. They have tremendous potential. Technological advances based on these properties will be guided by a deeper understanding of strongly correlated materials. The objective of this proposal is two-fold: (1) to develop computational tools to understand and calculate properties of strongly correlated materials and (2) to apply these methods to a variety of systems, some generic, other representing real materials.

我们对材料的理解长期以来一直基于简单的范式：金属可以被理解为准独立的电子，偶尔发生碰撞;在另一个极端，磁铁被理解为局域电子的自旋。但是在这些范例之间存在着一系列的材料，这些材料无法用这些简单的图片来理解，即使它们可能显示出两者的特征。近30年前发现的高温超导体就是这种“强关联材料”的原型。这些材料显示出各种迷人的特性，从超导性到奇异磁性，电荷有序等，它们具有巨大的潜力。基于这些性质的技术进步将通过对强相关材料的更深入理解来指导。 这个建议的目的是双重的：（1）开发计算工具来理解和计算强相关材料的性质和（2）将这些方法应用于各种系统，一些通用的，其他代表真实的材料。