2017
DOI: 10.1103/physrevapplied.8.044013
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Arsenene and Antimonene: Two-Dimensional Materials with High Thermoelectric Figures of Merit

Abstract: We study the thermoelectric properties of As and Sb monolayers (arsenene and antimonene) using density-functional theory and the semiclassical Boltzmann transport approach. The materials show large band gaps combined with low lattice thermal conductivities. Specifically, the small phonon frequencies and group velocities of antimonene lead to an excellent thermoelectric response at room temperature. We show that n-type doping enhances the figure of merit.

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Cited by 133 publications
(99 citation statements)
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References 67 publications
(67 reference statements)
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“…11 More recently, atomically thin As and Sb sheets have been extensively studied from both theoretical and experimental aspects, exhibiting wide band gaps, good stability, and low thermal conductivity. [12][13][14] Unlike BP, bulk bismuth (Bi) is a semimetal with an ultrasmall indirect band overlap of 30-40 meV and possesses unique electronic properties in the presence of strong magnetic field. [15][16][17] At room temperature (RT), single crystalline bulk and thin film forms of Bi exhibit extremely high carrier mobility of 5.7 × 10 6 cm 2 V −1 s −1 and 2 × 10 4 cm 2 V −1 s −1 , respectively, suggesting the potential applications in logic transistors.…”
Section: Introductionmentioning
confidence: 99%
“…11 More recently, atomically thin As and Sb sheets have been extensively studied from both theoretical and experimental aspects, exhibiting wide band gaps, good stability, and low thermal conductivity. [12][13][14] Unlike BP, bulk bismuth (Bi) is a semimetal with an ultrasmall indirect band overlap of 30-40 meV and possesses unique electronic properties in the presence of strong magnetic field. [15][16][17] At room temperature (RT), single crystalline bulk and thin film forms of Bi exhibit extremely high carrier mobility of 5.7 × 10 6 cm 2 V −1 s −1 and 2 × 10 4 cm 2 V −1 s −1 , respectively, suggesting the potential applications in logic transistors.…”
Section: Introductionmentioning
confidence: 99%
“…Note that instead of using conductivity quantities, conductance quantities are applied to describe thermoelectric properties of nanomaterials and TIs . By using DFT calculations in combination with Boltzmann transport theory, the thermoelectric properties of w ‐arsenene have been investigated …”
Section: Potential Applicationsmentioning
confidence: 99%
“…It was noted that the arsenene exhibited larger ZT values than phosphorene. In the case of b ‐As monolayer, ZT was evaluated to be of 0.17 at a temperature of 700 K, suggesting an excellent thermoelectric response . Upon doping, b ‐As monolayers could become competitors of well‐established thermoelectric materials ( ZT = 0.8).…”
Section: Potential Applicationsmentioning
confidence: 99%
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