TlCuPSe3 — Properties & Data | MatWorld

TlCuPSe3

metal

· JVASP-29573· TlCuPSe3

TlCuPSe₃ is a ternary chalcogenide compound combining thallium, copper, phosphorus, and selenium—a material class of significant interest in solid-state physics and materials research rather than established industrial production. This compound belongs to the family of metal chalcogenides being investigated for semiconducting, photovoltaic, and thermoelectric applications, where the combination of elements offers tunable electronic and thermal properties. As a research-phase material, TlCuPSe₃ represents the broader exploration of mixed-metal phosphide selenides for next-generation energy conversion and optoelectronic devices, though it remains primarily in academic study rather than mainstream engineering practice.

thermoelectric materials (research)photovoltaic absorbers (experimental)solid-state electronics (emerging)chalcogenide semiconductorsenergy conversion (development stage)

Compliance & Regulations

?EAR?Conflict Free?RoHS?REACH?TSCA?Prop 65

Units:

si imperial

Property	Value	Unit	Conditions	Source
Density(ρ)	5.805	kg/m³	DFT · OptB88vdW

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	1.528	eV	DFT · OptB88vdW
↳	2.120	eV	DFT · TBmBJ
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	10.01	-	DFT · OptB88vdW
↳	6.767	-	DFT · TBmBJ
Electron Effective Mass(m*e)	0.6267	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	2.950	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00159	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000834	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-196	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	359.1	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	20.37	%	DFT · TBmBJ

N entriesMultiple entries per property — large groups are collapsed; click a summary row to expand. Use filters above to narrow by form, heat treatment, basis, or test environment.

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Property	Value	Unit	Conditions	Source
Energy Above Hull(ΔEhull)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-0.2369	eV/atom	DFT · OptB88vdW

Verified Unverified Low confidence (<80%) Link to source

Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data

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TlCuPSe3

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