Tetragonal–Ni₁-xMxSi/Si (001) (M = Co, Pd, Pt) 구조 연구 : 제 1 원리 계산
Structural Study of Tetragonal–Ni₁–xMxSi/Si (001) (M = Co, Pd, Pt): First Principles Calculation
김대희(한국기술교육대학교); 서화일(한국기술교육대학교); 김영철(한국기술교육대학교)
46권 12호, 830~834쪽
초록
: NiSi is currently being employed in 45 nm CMOS devices as a contact material. We employed a first principles calculation to understand the movements of atoms when Co, Pd, and Pt were added to tetragonal–NiSi on Si (001). The Ni atoms in the tetragonal–NiSi/Si (001) favored away from the original positions along positive c–direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The Ni site at the interface farther away from the interface was more favorable for Pd and Pt substitution. Co, however, prafered the bulk site to the interface site, unlike Pd and Pt.
Abstract
: NiSi is currently being employed in 45 nm CMOS devices as a contact material. We employed a first principles calculation to understand the movements of atoms when Co, Pd, and Pt were added to tetragonal–NiSi on Si (001). The Ni atoms in the tetragonal–NiSi/Si (001) favored away from the original positions along positive c–direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The Ni site at the interface farther away from the interface was more favorable for Pd and Pt substitution. Co, however, prafered the bulk site to the interface site, unlike Pd and Pt.
- 발행기관:
- 대한금속·재료학회
- 분류:
- 재료공학