아래와 같이 세미나 일정을 안내드리니 많은 관심과 참석 바랍니다.

일시 : 9/10(목) 오후 16:00~17:00

장소 : 제1물리관 105호 대회의실

연사(소속) : 박창원 교수 (Department of physics, Ewha Womans University)
연제 : Lattice energetics across scales : From phonon dynamics to Moiré Reconstruction

초록 : Structural phenomena in quantum materials range from atomic vibrations and local lattice instabilities to collective CDW order and mesoscopic moiré domains. A common first-principles description is challenging because these phenomena involve anharmonicity, finite-temperature fluctuations, and widely separated length scales.

In this talk, I present an approach based on the symmetrized pair polynomial representation (SPPR), a DFT-derived lattice potential that enables symmetry-preserving large-scale atomistic simulations. I first discuss finite-temperature phonon dynamics and phase fluctuations in kagome metals. I then show how eigenmode-resolved lattice energetics reveal anharmonic mode competition and commensurate-incommensurate CDW transitions in 2H-TaSe2. Finally, I apply the same energetic framework to twisted multilayers, where stacking, elastic, and domain-wall energies govern moiré reconstruction and structural phase diagrams. Together, these examples demonstrate a unified first-principles route from phonons and lattice condensation to emergent domain textures.