Structure and Dynamics Group

Abstract

Emergence has played a key role in the discovery of a plethora of new condensed phases of matter and materials. Through emergence, topological phases were found in 2D materials leading to a class of materials with promising technological applications known as 2D topological materials. For example, topological insulators host time-reversal-symmetry-protected edge states which are promising for spintronics application. In this talk, we discuss the investigation of 2D topological materials using first-principles calculations. First, we examine the structural and electronic properties of 2D materials including MXenes and transition metal pnictogen honeycomb structures. Then, we examine the topological phases and demonstrate the topological edge states. These studies illustrate how altering the geometric structure and chemical composition can strongly change the physical properties which may lead to topological phases such as the quantum spin Hall and quantum anomalous Hall phases.