TmCuSe2 is an intermetallic compound combining thulium, copper, and selenium, belonging to the family of ternary chalcogenides. This is a research-phase material rather than an established industrial compound; such materials are investigated primarily for their potential thermoelectric, magnetic, or optoelectronic properties that emerge from the specific arrangement of rare-earth and transition-metal elements. The compound's notable stiffness and moderate density suggest potential applications in specialized thermal management or electronic device contexts where unconventional material properties are required.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 67.90 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 29.26 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.127 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.274 | eV | DFT · OptB88vdW | ||
| ↳ | 1.612 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 19.64 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.926 | - | DFT · OptB88vdW | ||
| ↳ | 7.850 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.780 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8167 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.5608 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.3691 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00419 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00198 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -313.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 249.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 30.53 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01560 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.242 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data