An investigation of bridge atoms effects on the thermal and electrical properties for both para and meta linked indeno-fluorene single molecules

Al-Alwany, Noor A.; Al-Jobory, Alaa

doi:10.1063/5.0112124

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Figure 3 Fermi Energy-dependent Transport Coefficients In Si...1

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2024

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“…The dimensionless figure of merit (ZT) is used to determine how effective a thermoelectric power system is. The above equation ( 4) is used to calculate a figure of merit (ZT) [36]:…”

Section: Figure 3 Fermi Energy-dependent Transport Coefficients In Si...mentioning

confidence: 99%

Theoretical Study of Electronic and Thermoelectric Properties of Ultra-Thin Silicene and Germanene

Zareed,

Dahham,

Al-Jobory

2024

Tikrit J. Pure Sci.

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In this study, we used the Non-Equilibrium Green Function (NEGF) and Density Functional Theory (DFT) to analyze the nanoscale electronic properties of silicene and germanene structures, the band structure and Density of State (DOS) for the unit cell of silicene and germanene are found that the energy gap is (0 eV) in both. A comparison was made between silicene and germanene in terms of electrical and thermal properties, by calculating the transmission coefficient T(E) for silicene patterns (Si1, Si2, Si3, and Si4) and germanene patterns (Ge1, Ge2, Ge3, and Ge4). The results show that T(E) decreases with increasing etching depth, which also leads to a decrease in electronic conductivity. Moreover, the value of the Seebeck coefficient (S) increases with increasing drilling depth, and also the sign of S varies from a positive value for (Si1, Si4, Ge1, Ge2, Ge4) to a negative value for (Si2, Si3, Ge3) at Fermi level (Ef) equal to (0 eV). The highest value of the figure of merit is about (1.8) for the Ge4 structure.

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“…The dimensionless figure of merit (ZT) is used to determine how effective a thermoelectric power system is. The above equation ( 4) is used to calculate a figure of merit (ZT) [36]:…”

Section: Figure 3 Fermi Energy-dependent Transport Coefficients In Si...mentioning

confidence: 99%

Theoretical Study of Electronic and Thermoelectric Properties of Ultra-Thin Silicene and Germanene

Zareed,

Dahham,

Al-Jobory

2024

Tikrit J. Pure Sci.

View full text Add to dashboard Cite

show abstract

An investigation of bridge atoms effects on the thermal and electrical properties for both para and meta linked indeno-fluorene single molecules

Cited by 1 publication

References 29 publications

Theoretical Study of Electronic and Thermoelectric Properties of Ultra-Thin Silicene and Germanene

Theoretical Study of Electronic and Thermoelectric Properties of Ultra-Thin Silicene and Germanene

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