Titanium Silicon Nitride

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titanium silicon, chemical formula Ti3SiC2, is a high-temperature and pressure resistant material that has ceramic and metallic properties. It has excellent hardness, thermal and chemical stability, and moderate resistance to oxidation. It has many potential applications and is widely used in the aerospace industry as well as in electronic devices.

The electronic structure of a-Ti shows an open Fermi pseudogap for the low-lying p DOS of Si and for the d DOS of Mo, indicating a covalent bond between both atoms. Similarly, the electronic structure of b-Ti also shows an open Fermi pseudogap, although it is smaller than that for the a-phase.

Electrostatic repulsion is the most prominent mechanism for repulsive interactions between Mo and Si in a-Ti. This repulsion can be explained by the asymmetry of X-Si metallic bonds (see Table 2 and Figure 3).

In b-Ti, both the Mo-Si and V-Si pairs are repulsive to Si as shown by negative interaction energies. This is in agreement with the Friedel theory, which explains the formation of ordered silicides in Ti alloys.

The atomic arrangement of simple metal alloying atoms in a-Ti is similar to that in the case of noble metal atoms, Cu and Ge. However, the underlying physics is different from that for noble metal atoms. The repulsion between Mo and Si in a-Ti is due to the Coulomb electrostatic repulsion when the two atoms are next to each other.

We report the synthesis and characterization of a nano-sized ternary compound, g-Si1-x,Tix)3N4 embedded in spinel-type g-Si3N4 crystals under kinetically controlled conditions. This novel nitride is characterized by a spinel-type crystal structure with about 8 atom% of Ti and can be used for application in semiconductor electronics.