TePb
lead telluride · PbTe
Lead telluride is a stable semiconducting compound primarily used as a high-performance thermoelectric material for converting waste heat into electricity.
About lead telluride
Lead telluride is a thermodynamically stable compound within the lead chalcogenide family. As a narrow-gap semiconductor, it exhibits exceptional electronic properties that make it a cornerstone material for solid-state thermal energy conversion. Its robust structural integrity allows it to maintain performance across a variety of demanding environments. Beyond its role in thermoelectrics, the material is highly regarded for its optoelectronic capabilities. It is extensively studied and characterized, with a vast array of structural configurations documented in materials databases, reflecting its fundamental importance in semiconductor physics and device engineering.
Key Properties
Cross-validated computational properties for lead telluride, 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 TePb. 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 TePb, 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 | 1.04 | 0.0000 | -0.430 | — |
| — | — | 0.84 | 0.0000 | -0.409 | — |
| Fm-3m (No. 225) | cubic | 0.81 | 0.0000 | -41.355 | 7.94 |
| Fm-3m (No. 225) | cubic | 0.84 | 0.0001 | -0.430 | — |
| — | — | 0.95 | 0.0007 | -0.408 | — |
| — | — | 0.97 | 0.0008 | -0.408 | — |
| Fm-3m (No. 225) | cubic | 1.12 | 0.0126 | -0.417 | — |
| Fm-3m (No. 225) | cubic | 1.01 | 0.0128 | -0.417 | — |
| P63/mmc (No. 194) | hexagonal | 0.10 | 0.0356 | -41.319 | 7.71 |
| — | — | 0.00 | 0.0465 | -0.363 | — |
| — | — | 0.88 | 0.0513 | -0.358 | — |
| P63mc (No. 186) | hexagonal | 0.23 | 0.0521 | -0.378 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting TePb.
Applications
Where lead telluride is used.
Frequently Asked Questions
Common questions about lead telluride, answered from cross-validated data.
What is TePb?
Lead telluride is a stable semiconducting compound primarily used as a high-performance thermoelectric material for converting waste heat into electricity.
What is TePb used for?
What is the band gap of TePb?
Is TePb a metal, semiconductor, or insulator?
Is TePb thermodynamically stable?
What is the crystal structure of TePb?
How many polymorphs of TePb are known?
How is TePb synthesized?
What elements does TePb contain?
Where does the data for TePb come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Compared to other lead chalcogenides like PbS and PbSe, lead telluride is frequently prioritized for thermoelectric applications due to its superior intrinsic carrier mobility and optimized thermal transport properties. While PbS and PbSe offer distinct advantages in specific spectral ranges, PbTe remains the most prominent member of this class for high-efficiency energy harvesting.
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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