BiTeI — Properties & Data | MatWorld

BiTeI

Name: BiTeI
Brand: MatWorld

semiconductor

· BiTeI

BiTeI is a layered ternary semiconductor compound composed of bismuth, tellurium, and iodine, belonging to the family of bismuth chalcohalides. This material is primarily investigated in research and emerging device contexts rather than established industrial production, with interest driven by its layered crystal structure that enables mechanical exfoliation and potential for 2D device applications. BiTeI shows promise in thermoelectric energy conversion, topological electronics, and optoelectronic devices where its tunable bandgap and anisotropic transport properties could offer advantages over conventional semiconductors, though widespread commercial deployment remains limited.

topological electronics researchthermoelectric generators2D materials and heterostructuresoptoelectronic devicesquantum transport studiesphotovoltaic prototypes

Compliance & Regulations

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Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	3,089.3	ksi	DFT · OptB88vdW
Exfoliation Energy(Eexf)	103.6	meV/atom	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2700	-	DFT · OptB88vdW
Shear Modulus(G)	1,807.2	ksi	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	0.2375	lb/in³	DFT · OptB88vdW

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

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)3 entries	0.4600	eV	Measured
↳	1.200	eV	DFT · OptB88vdW
↳	1.683	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)2 entries	35.57	-	DFT · OptB88vdW
↳	23.74	-	DFT · PBE
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	13.77	-	DFT · OptB88vdW
↳	10.06	-	DFT · TBmBJ
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	0.3367	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	0.7900	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)2 entries	0.1168	C/m²	DFT · OptB88vdW
↳	0.2752	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.00120	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00286	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-144.8	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	294.2	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	29.47	%	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)	-0.3690	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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RoHS, REACH, and Prop 65 statuses are validated against official substance lists (ECHA SVHC Candidate List, OEHHA Prop 65, RoHS Annex II). Other regulations are estimated from composition and material classification. All screening is a starting point for due diligence — always verify with your supplier before making compliance decisions.

BiTeI

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