| Title |
Structural Study of Tetragonal-Ni1-xMxSi/Si (001) (M=Co, Pd, Pt): First Principles Calculation |
| Authors |
김대희(Dae Hee Kim); 서화일(Hwa Il Seo); 김영철(Yeong Cheol Kim) |
| ISSN |
1738-8228(ISSN), 2288-8241(eISSN) |
| Keywords |
NiSi/Si interface; tetragonal-NiSi; metal substitution; metal segregation; first principles calculation |
| 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. |