세종대학교 물리학과
세종대학교 물리학과
학과소개 학과소개 새소식 학사정보 연구실/사람들 동문마당 게시판/자료실


2018.4.11
[콜로퀴움] First-Principles Calculations on Impurities in Quasi-One-Dimensional Charge Density Wave System

‧제목 First-Principles Calculations on Impurities in Quasi-One-Dimensional Charge Density Wave System
‧연사  숙명여자대학교 김한철 교수님
‧일시  2018년 4월 11일 (수요일) 오후 5시
‧장소  영실관 601호

초 록

Metal adsorbed semiconductors have attracted much interest in surface science because they provide useful platforms to study low-dimensional phenomena including phase transitions. Indium nanowires self-assembled on the Si(111) surface is an extensively studied quasi-one-dimensional (quasi-1D) system undergoing a structural phase transition from room-temperature (RT) 4×1 to low-temperature 8×2 structure at ~120K, which is known to be a charge density wave (CDW) condensation. The O impurities are known to increase the critical temperature (Tc) whereas other atomic species such as H, Na, and In adatoms decrease Tc. However, its mechanism is veiled. In this presentation, I would like to present the first-principles calculations on foreign atom adsorption and diffusion focusing on O and In atoms. For stable adsorption structures, scanning tunneling microscopy (STM) images were simulated and compared with the experimental STM images to identify the observed impurity-induced defect features. In addition, we calculated the diffusion pathways between stable adsorption sites. Based on these results, the interplay of impurity atoms with the CDW will be discussed.





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