GaSe
Gallium selenide · Gallium(II) selenide
Gallium selenide is a stable, layered semiconductor material primarily utilized in the development of advanced optical and electronic components.
About Gallium selenide
Gallium selenide is a thermodynamically stable compound that crystallizes in a distinct layered arrangement. Its electronic character as a semiconductor makes it a highly versatile material for modern electronic and optical device research.
Because it sits firmly on the convex hull, this material is recognized for its structural reliability. It is widely investigated for its potential in high-frequency applications and light-sensitive technologies where its specific electronic properties can be effectively harnessed.
Key Properties
Cross-validated computational properties for Gallium selenide, 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 GaSe. 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 GaSe, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.21 | 0.0000 | -13.567 | 4.85 |
| — | — | 0.97 | 0.0000 | -0.591 | — |
| R3m (No. 160) | trigonal | 0.83 | 0.0000 | -0.582 | — |
| P-6m2 (No. 187) | hexagonal | 0.68 | 0.0000 | -0.582 | — |
| P63/mmc (No. 194) | hexagonal | 1.24 | 0.0000 | -13.567 | 4.85 |
| P-6m2 (No. 187) | hexagonal | 1.25 | 0.0003 | -13.567 | 4.85 |
| P63mc (No. 186) | hexagonal | 0.70 | 0.0003 | -0.582 | — |
| — | — | 0.99 | 0.0006 | -0.591 | — |
| P63/mmc (No. 194) | hexagonal | 0.72 | 0.0006 | -0.582 | — |
| R3m (No. 160) | trigonal | 1.23 | 0.0014 | -13.566 | 4.60 |
| — | — | 0.90 | 0.0030 | -0.588 | — |
| — | — | 0.97 | 0.0039 | -0.587 | — |
Applications
Where Gallium selenide is used.
Frequently Asked Questions
Common questions about Gallium selenide, answered from cross-validated data.
What is GaSe?
Gallium selenide is a stable, layered semiconductor material primarily utilized in the development of advanced optical and electronic components.
What is GaSe used for?
What is the band gap of GaSe?
Is GaSe a metal, semiconductor, or insulator?
Is GaSe thermodynamically stable?
What is the crystal structure of GaSe?
What is the density of GaSe?
How many polymorphs of GaSe are known?
What elements does GaSe contain?
Where does the data for GaSe come from?
How It Compares
As a standalone material in this context, gallium selenide serves as a benchmark for layered semiconductor performance. Its stability and well-documented structural diversity across numerous databases underscore its importance as a foundational material for future semiconductor engineering.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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