Jia-An Yan

Research Interests

My research area focuses on studies of structural, electronic, optical, vibrational, and excited state properties of novel materials at low dimensions (especially at 2D), using first-principles methods based on density-functional theory. By carrying out comprehensive computational simulations, the main goal is to achieve deep understanding of the dimensionality effects on the electronic structures in diverse electronic materials, thus facilitating designs of novel materials with desired properties. Recent projects of 2D materials span from lattice dynamics of graphene, electron-phonon coupling and strain-tunable topological phase transition in silicene, ground state structure of stanene, dimensionality effects on the Fermi surface topology and phonon properties in TaSe2, and Raman spectra of monolayer MoS2 under various uniaxial strains.