First principles study of two dimensional Gd2C electrides
일 시 : 2021년 12월 16일 목요일 16:00
연 사 : 김 건 교수 (세종대학교 물리천문학과)
장 소 : 온라인 (줌 회의ID: 811 0183 4598 , 암호: 783734)
HOST : 조 준 형 교수님
초 록
Ionic compounds in which electrons act as anions in the interior of a positively charged framework are known as electrides. Gd2C attracts interest as a layered electride due to its ferromagnetism. Although prior research has concentrated on the bulk properties of Gd2C, there have been few investigations on ultrathin layers or surfaces for two-dimensional (2D) properties. A first-principles investigation of the electrical characteristics of few-layer Gd2C structures is presented here. The work function of Gd2C is 3.35 eV. When the interstitial layer of a layered electride is exfoliated, it creates a surface exposed to the outside. Because the interlayer area has shifted to the surface, the characteristics of electron gases previously present in the interlayer will shift as well. In the absence of an external electric field, surface anionic electrons accounted for around 25% of the total number of electrons in the interlayer area. Finally, we also studied point defects in Gd2C. The results of this study will also be presented here.