Phase Transition of TiSi_2 under Interfacial Stresses
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We present phase diagram of materials (Silicon, Carbon, and Titanium disilicide TiSi<SUB>2</SUB>) obtained by the first principles and semi-empirical free-energy calculations. Phase boundary of the two solid phases of TiSi<SUB>2</SUB> was found to sensitively depend on the pressure, which explains the suppressed phase transition in the thin films where the interfacial stress is large. The Clapeyron slope of the graphite-liquid phase boundary was found to rather suddenly decrease at about 1 GPa because of the change in the liquid structure. The structural change is continuous, but becomes first-order like only at lower temperature range where the liquid is metastable.
- The Review of High Pressure Science and Technology
The Review of High Pressure Science and Technology 7, 181-186, 1998
The Japan Society of High Pressure Science and Technology