Compensation-doped silicon for photovoltaic applications

Samsonidze, Ge. G.; Cohen, Marvin L.; Louie, Steven G.

doi:10.1103/physrevb.84.195201

Cited by 7 publications

(6 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Beyond a certain doping level, the cubic phase is likely to dominate. This is what Samsonidze et al [22] observed in the case of Si-group. They doped CoVSi, CoNbSi, and CoTaSi by Sn until they obtained the stable cubic symmetry.…”

Section: B Structural Optimizationsupporting

confidence: 73%

See 1 more Smart Citation

First-principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys

Singh¹,

Zeeshan²,

Brink³

et al. 2019

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

We screened six cobalt-based 18-VEC systems CoVSi, CoNbSi, CoTaSi (Si-group) and CoVGe, CoNbGe, CoTaGe (Ge-group) by the first-principles approach, with the motivation of stabilizing these orthorhombic phases into the cubic symmetry -favorable for thermoelectrics. Remarkably, it was found that the Ge-group is energetically more favorable in the cubic symmetry than the hitherto orthorhombic phase. We account the cubic ground state of the Si-group to the interplay of internal pressure and covalent interactions. The principle of covalent interactions will provide an insight and could be vital in speeding the search of missing cubic half-Heusler alloys. Meanwhile, the calculated transport properties of all the systems on p-type doping, except CoVSi, are more promising than the well-known CoTiSb. We also provide conservative estimates of the figure of merit, exceeding the CoTiSb. Based on our findings, we suggest possible new phases of ternary compounds for thermoelectric applications.Usage: Secondary publications and information retrieval purposes.PACS numbers: May be entered using the \pacs{#1} command.Structure: You may use the description environment to structure your abstract; use the optional argument of the \item command to give the category of each item. * S.S. and M.Z. contributed equally to this work. † Corresponding author: hem12fcy[at]iitr.ac.in

show abstract

Section: B Structural Optimizationsupporting

confidence: 73%

“…In a recent first-principles based search of new TE prospects, 18-VEC orthorhombic systems CoVSi, CoNbSi, and CoTaSi were doped with Sn [22]. Beyond a certain doping level, the cubic phase was found to be the ground state, i.e., favorable for thermoelectrics.…”

Section: Introductionmentioning

confidence: 99%

First-principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys

Singh¹,

Zeeshan²,

Brink³

et al. 2019

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…The incorporation of III-V elements into Si has been recently proposed as a way to enhance the absorption by direct optical transitions. 20 Our method accomplishes this goal using an elegant approach that reaches the maximum possible concentration of isolated "donor-acceptor" pairs within fully interlinked III-V-(IV) 3 building blocks (see Fig. 1) in a diamond-structure matrix.…”

Section: Introductionmentioning

confidence: 99%

Nanoscale assembly of silicon-like [Al(As1−xNx)]ySi

et al. 2013

View full text Add to dashboard Cite

Ab initio theoretical simulations of Al(As 1−x N x )Si 3 alloys, a new class of optoelectronic materials, confirm that these compounds are likely to be disordered via a mechanism that preserves the integrity of the constituent III-V-Si 3 tetrahedra but randomizes their orientation in the average diamond lattice of the compound. This type of disorder is consistent with experimental structural data and with the proposed growth mechanism for such alloys, according to which "III:V(SiH 3 ) 3 " intermediate complexes are formed in the gas phase from reactions between group-III atomic beams and V(SiH 3 ) 3 molecules, delivering the entire III-V-Si 3 tetrahedra to the growing film. Experimental optical studies of these Al(As 1−x N x )Si 3 alloys as well as more general [Al(As 1−x N x )] y Si 5−2y compounds grown on Si substrates were carried out using spectroscopic ellipsometry. The resulting dielectric functions are found to be similar to broadened versions of their counterparts in pure Si. This broadening may have important practical applications, particularly in photovoltaics, because it dramatically enhances the optical absorption of Si in the visible range of the electromagnetic spectrum. A critical point analysis reveals the existence of direct optical transitions at energies as low as 2.5 eV, well below the lowest direct absorption edge of Si at 3.3 eV. Such transitions are predicted theoretically for perfectly ordered III-V-Si 3 compounds, and the experimental results suggest that they are robust against tetrahedra orientational disorder.

show abstract

“…7,11 This is because about 93% of the energy in sunlight is concentrated in the visible and infrared light with wavelength (k) in the range of 390-4000 nm (corresponding to 0.31-3.18 eV); 12 however, E g of BFO is 2.67 eV, so that photons with k > 464 nm, which account for more than 85% of the total energy, cannot be absorbed. 13 To improve the optical absorption of BFO thin films, their bandgap needs to be narrowed. 13 An effective and economical way of bandgap engineering is strain, 4 including external stresses, such as uniaxial 14 or hydrostatic pressures, 15 or internal strains, such as chemical pressure or lattice mismatch.…”

mentioning

confidence: 99%

“…13 To improve the optical absorption of BFO thin films, their bandgap needs to be narrowed. 13 An effective and economical way of bandgap engineering is strain, 4 including external stresses, such as uniaxial 14 or hydrostatic pressures, 15 or internal strains, such as chemical pressure or lattice mismatch. 4 Strain engineering has been widely employed in semiconductors to acquire desirable electronic, mechanical, and other properties.…”

mentioning

confidence: 99%

Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial compression or biaxial tension

Dong

Wang

et al. 2013

Applied Physics Letters

View full text Add to dashboard Cite

First-principles computations are employed to investigate the electronic structures and optical absorption of rhombohedral BiFeO 3 under uniaxial compression and biaxial tension. We find that the bandgap of BiFeO 3 is reduced under uniaxial compression, and it can be tuned to the ideal value for photovoltaic applications; furthermore, the indirect-to-direct bandgap transition occurs, which would lead to much enhanced optical absorption near the band edge. Similar results are found for biaxial tensile strain. Strong optical absorption is critical to build efficient solar cells based on ferroelectric thin films; strain engineering is thus a practical route towards realizing this scheme, in which no junction is needed to separate charge carriers. V

show abstract

Compensation-doped silicon for photovoltaic applications

Cited by 7 publications

References 27 publications

First-principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys

First-principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys

Nanoscale assembly of silicon-like [Al(As1−xNx)]ySi

Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial compression or biaxial tension

Contact Info

Product

Resources

About