| 학회 | 한국화학공학회 |
| 학술대회 | 2011년 가을 (10/26 ~ 10/28, 송도컨벤시아) |
| 권호 | 17권 2호, p.1769 |
| 발표분야 | 이동현상 |
| 제목 | A molecular dynamics on the band characteristics of ZnSe thin films |
| 초록 | ZnSe can be applied to the various fields such as laser diode, display, and solar cell, as one of II-VI compound semiconductors which has a wide band gap in the visible region.By using the electrochemical deposition method, ZnSe thin film was synthesized on the ITO glass substrate, where the synthesis of ZnSeand their structure having zinc blende shape were verified throughXRD and SEM analysis.By UV spectrophotometric method, the band gap wasdeterminedas the value of 2.76eV. Also the band structure of ZnSe grains was analyzed by applying the DFT (Density Functional Theory) in the molecular dynamics. For ZnSe crystals with zinc blende structure, the band structure and its density of state were simulated by usingvarious functionals such asLDA (Local Density Approximation), PBE (Perdew Burke Ernzerhof), and B3LYP (Becke, 3-parameter, Lee-Yang-Parr).Among the calculations of energy band gap upon each functional, the calculated bandgap of 2.65eV valuebased on the B3LYP functional was mostly near by the experimental onet. This work was supported by 3DRC in Kwangwoon University. (NIPA-2011-C1090-1111-0002) |
| 저자 | 박정민, 윤도영 |
| 소속 | 광운대 |
| 키워드 | |
| 원문파일 | 초록 보기 |
