PbSe
lead selenide · clausthalite
Lead selenide is a stable semiconducting compound widely used in infrared sensing and thermoelectric energy harvesting technologies.
About lead selenide
Lead selenide is a robust, thermodynamically stable semiconductor belonging to the lead chalcogenide family. Its crystalline structure and electronic properties make it a foundational material for optoelectronic and thermal energy conversion research.
Because it resides on the convex hull, this compound exhibits excellent structural reliability for device integration. It is widely utilized in infrared detection and thermoelectric power generation, where its ability to manipulate heat and charge carriers is highly valued.
Key Properties
Cross-validated computational properties for lead selenide, aggregated across 4 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 PbSe. 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 PbSe, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.43 | 0.0000 | -35.971 | 8.05 |
| Cmcm (No. 63) | orthorhombic | 0.86 | 0.0386 | -35.932 | 8.08 |
| Pnma (No. 62) | orthorhombic | 1.07 | 0.0526 | -35.918 | 7.31 |
| Fmm2 (No. 42) | orthorhombic | 1.30 | 0.0736 | -35.897 | 4.06 |
| Cm (No. 8) | monoclinic | 1.29 | 0.0782 | -35.893 | 4.06 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2370 | -35.734 | 8.77 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 6.02 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 5.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.25 |
Applications
Where lead selenide is used.
Frequently Asked Questions
Common questions about lead selenide, answered from cross-validated data.
What is PbSe?
Lead selenide is a stable semiconducting compound widely used in infrared sensing and thermoelectric energy harvesting technologies.
What is PbSe used for?
What is the band gap of PbSe?
Is PbSe a metal, semiconductor, or insulator?
Is PbSe thermodynamically stable?
What is the crystal structure of PbSe?
What is the density of PbSe?
How many polymorphs of PbSe are known?
What elements does PbSe contain?
Where does the data for PbSe come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Within the lead chalcogenide class, PbSe serves as a critical bridge between the lighter PbS and the heavier PbTe, offering a distinct balance of thermal and electronic transport properties that are essential for optimizing thermoelectric efficiency across a broad range of temperatures.
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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