“…Transition metal silicides have been widely used in medical, aerospace, electronic and many other elds because of their unique properties. [1][2][3][4] TiSi 2 in the C54 structure (face-centered orthorhombic) is not only important in integrated circuit manufacturing by serving as a low resistance contact to metaloxide-semiconductor eld effect transistors such as sub-100 nm gate MOSFET devices [5][6][7][8][9][10][11] because of its fairly low resistivity (13-20 mU cm), but also attracts great attention for applications in very large scale integration (VLSI) technology due to its unique properties such as strong adhesion with silicon substrates, good thermal stability, and high corrosion resistance. Interestingly, TiSi 2 has a metastable phase with a four times higher resistivity.…”
The elastic constants, DOS, charge density distribution and the fundamental thermodynamic data such as the specific heat, thermal expansion coefficient and Debye temperature under different temperatures and pressures are theoretically determined.
“…Transition metal silicides have been widely used in medical, aerospace, electronic and many other elds because of their unique properties. [1][2][3][4] TiSi 2 in the C54 structure (face-centered orthorhombic) is not only important in integrated circuit manufacturing by serving as a low resistance contact to metaloxide-semiconductor eld effect transistors such as sub-100 nm gate MOSFET devices [5][6][7][8][9][10][11] because of its fairly low resistivity (13-20 mU cm), but also attracts great attention for applications in very large scale integration (VLSI) technology due to its unique properties such as strong adhesion with silicon substrates, good thermal stability, and high corrosion resistance. Interestingly, TiSi 2 has a metastable phase with a four times higher resistivity.…”
The elastic constants, DOS, charge density distribution and the fundamental thermodynamic data such as the specific heat, thermal expansion coefficient and Debye temperature under different temperatures and pressures are theoretically determined.
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