ZnS
zinc sulfide · zinc blende, wurtzite
Zinc sulfide is a stable, widely used semiconductor material that serves as a cornerstone in the development of optical and electronic technologies.
About zinc sulfide
Zinc sulfide is a foundational II-VI semiconductor known for its robust thermodynamic stability. As a highly studied material with a vast array of documented structural arrangements, it serves as a critical model system for understanding crystal growth and electronic behavior in binary chalcogenides.
Its unique semiconducting character makes it indispensable for high-performance optical and optoelectronic devices. The material is widely valued for its ability to maintain structural integrity under various conditions, supporting its role in advanced thin-film technologies and light-emitting components.
Key Properties
Cross-validated computational properties for zinc sulfide, aggregated across 3 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 ZnS. 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 ZnS, 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. |
|---|---|---|---|---|---|
| — | — | 2.15 | 0.0000 | -0.957 | — |
| P63mc (No. 186) | hexagonal | 2.09 | 0.0000 | -0.887 | — |
| F-43m (No. 216) | cubic | 2.09 | 0.0000 | -0.887 | — |
| P3m1 (No. 156) | trigonal | 2.02 | 0.0000 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 2.02 | 0.0000 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 2.02 | 0.0000 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 1.99 | 0.0001 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 2.09 | 0.0001 | -0.887 | — |
| P63mc (No. 186) | hexagonal | 2.02 | 0.0001 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 2.72 | 0.0001 | -9.435 | 4.14 |
| P3m1 (No. 156) | trigonal | 2.72 | 0.0001 | -9.435 | 4.14 |
| F-43m (No. 216) | cubic | 2.02 | 0.0001 | -9.435 | 4.14 |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnS.
Applications
Where zinc sulfide is used.
Patent Landscape
12 patents reference ZnS or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6297190 | ZnS photocatalyst, preparation therefor and method for producing hydrogen by use of the same | — | — |
| 6656260 | ZnS-series sintered material and method for producing the same, target using the ZnS-series sintered material, | — | — |
| 5498369 | Method of manufacturing ZnS particles | — | — |
| 9696317 | Greener process to synthesize water-soluble Mn2+-doped CdSSe(ZnS) core(shell) nanocrystals for ratiometric tem | — | — |
| 9163130 | Method for the production of ZnS particles having a metal oxide coating and a cobalt content, products obtaine | — | — |
| 5686195 | Process for an improved laminate of ZnSe and ZnS | — | — |
| 9202867 | Nanocrystals containing CdTe core with CdS and ZnS coatings | — | — |
| 10105687 | Heterostructured Bi2S3—ZnS photocatalysts and methods thereof | — | — |
| 9559411 | Method for producing infrared ZnS domes | — | — |
| 5476549 | Process for an improved laminate of ZnSe and ZnS | — | — |
Frequently Asked Questions
Common questions about zinc sulfide, answered from cross-validated data.
What is ZnS?
Zinc sulfide is a stable, widely used semiconductor material that serves as a cornerstone in the development of optical and electronic technologies.
What is ZnS used for?
What is the band gap of ZnS?
Is ZnS a metal, semiconductor, or insulator?
Is ZnS thermodynamically stable?
What is the crystal structure of ZnS?
How many polymorphs of ZnS are known?
How is ZnS synthesized?
What elements does ZnS contain?
Where does the data for ZnS come from?
How It Compares
Within the ii-vi semiconductors class.
Within the II-VI semiconductor family, zinc sulfide stands out as a primary, highly stable benchmark compared to heavier counterparts like cadmium sulfide or cadmium telluride. While siblings such as CdS share similar structural motifs, zinc sulfide is distinguished by its widespread availability and its status as one of the most extensively characterized materials in its class.
Related Compounds
Other II-VI Semiconductors in the database.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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