TiW
TiW is a metallic titanium-tungsten alloy frequently used as a diffusion barrier in semiconductor manufacturing.
About TiW
TiW is a metallic binary alloy composed of titanium and tungsten. It is recognized for its robust structural integrity and is considered highly synthesizable due to its position near the thermodynamic hull, making it a reliable candidate for material engineering tasks. Its metallic nature ensures high electrical conductivity, which is critical for its performance in demanding technical environments. The compound is widely utilized in the semiconductor industry, particularly as a diffusion barrier layer that prevents the intermixing of metals in integrated circuits. Its ability to maintain stability under various processing conditions makes it a staple in microelectronics manufacturing.
Key Properties
Cross-validated computational properties for TiW, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TiW. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for TiW, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.070 | — |
| — | — | 0.00 | 0.0027 | -0.068 | — |
| — | — | 0.00 | 0.0058 | -0.065 | — |
| — | — | 0.00 | 0.0135 | -0.057 | — |
| — | — | 0.00 | 0.0154 | -0.055 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0225 | -32.130 | 11.98 |
| — | — | 0.00 | 0.0254 | -0.045 | — |
| — | — | 0.00 | 0.0284 | -0.042 | — |
| — | — | 0.00 | 0.0288 | -0.042 | — |
| — | — | 0.00 | 0.0293 | -0.041 | — |
| — | — | 0.00 | 0.0301 | -0.040 | — |
| — | — | 0.00 | 0.0370 | -0.033 | — |
Applications
Where TiW is used.
Patent Landscape
5 patents reference TiW or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6855638 | Process to pattern thick TiW metal layers using uniform and selective etching | — | — |
| 8025812 | Selective etch of TiW for capture pad formation | — | — |
| 5290588 | TiW barrier metal process | — | — |
| 5462638 | Selective etching of TiW for C4 fabrication | — | — |
| 4787958 | Method of chemically etching TiW and/or TiWN | — | — |
Frequently Asked Questions
Common questions about TiW, answered from cross-validated data.
What is TiW?
TiW is a metallic titanium-tungsten alloy frequently used as a diffusion barrier in semiconductor manufacturing.
What is TiW used for?
What is the band gap of TiW?
Is TiW a metal, semiconductor, or insulator?
Is TiW thermodynamically stable?
How many polymorphs of TiW are known?
What elements does TiW contain?
Where does the data for TiW come from?
How It Compares
As a binary alloy, TiW serves as a foundational material in its class, often favored for its specific balance of mechanical hardness and chemical resistance. It acts as a critical interface material, providing superior adhesion and barrier properties that are essential for the reliability of modern electronic devices.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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