Theoretical Solid State Physics

研究方向为理论凝聚态物理和材料研究，涵盖半导体、过渡金属、表面和界面、超晶格、缺陷、超导、压力下材料、团簇和固体中的多体效应等领域。主要目的是从第一性原理出发，在微观水平上解释和预测真实材料的性质。采用了几种不同的方法。利用从头算伪势密度泛函形式获得了结构和键合性质；利用准粒子自能法计算激发态性质；利用量子蒙特卡罗方法研究了相关电子系统的基态性质。用这些方法获得了许多固体性质。其中包括：结构信息、相稳定性、光学和光电发射光谱、电荷密度分布、表面和界面特性、振动和力学性能、电子-声子相互作用参数、磁性能、超导转变温度以及各种其他固态现象。在高压下具有新结构的固体、超硬材料、固体中的激发谱、二维和三维系统中的电子相关性、常规超导性、高温和“七叶球”固体、金属和半导体团簇、兆巴压力下的固体氢和半导体表面等领域规划了一些具体的新方向。界面和超晶格。一个广泛的理论和计算程序将研究在各种条件和不同状态下与材料和凝聚态系统相关的电子结构和性质。这个小组在这一材料研究领域处于世界领先地位。

Research will be conducted in theoretical condensed matter physics and materials research covering the fields of semiconductors, transition metals, surfaces and interfaces, superlattices, defects, superconductivity, materials under pressures, clusters and many- body effects in solids. The major objective is to explain and predict the properties of real materials at the microscopic level from first principles. Several different approaches are employed. Structural and bonding properties are obtained using ab initio pseudopotential density functional formalism; excited-state properties are calculated using a quasiparticle self-energy approach; ground state properties of correlated electronic systems are studied using a quantum Monte Carlo approach. A host of solid state properties are obtained with these methods. Among these are: structural information, phase stability, optical and photoemission spectra, charge density distributions, surface and interface characteristics, vibrational and mechanical properties, electron- phonon interaction parameters, magnetic properties, superconducting transition temperature, and a variety of other solid state phenomena. Some specific new directions are planned in the areas of solids with novel structures at high pressures, superhard materials, excitation spectra in solids, electron correlations in two-and three-dimensional systems, superconductivity in conventional, high temperature and "buckeyball" solids, metal and semiconductor clusters, solid hydrogen at megabar pressures, and semiconductor surfaces, interfaces and superlattices. %%% A broad theoretical and computational program will study the electronic structure and properties associated with materials and condensed matter systems under a variety of conditions and in different states. This group is one of the world leaders in this area of materials research.