Introduction to Solid-State Theory

We theoretically study the acoustic phonon limited mobility in n-doped two-dimensional MoS2 for temperatures T < 100 K and high carrier densities using the Boltzmann equation and firstprinciples calculations of the acoustic electron-phonon (el-ph) interaction. In combination with a continuum elastic model, analytic expressions and the coupling strengths for the deformation potential and piezoelectric interactions are established. We furthermore show that the deformation potential interaction has contributions from both normal and umklapp processes and that the latter contribution is only weakly affected by carrier screening. Consequently, the calculated mobilities show a transition from a high-temperature µ ∼ T −1 behavior to a stronger µ ∼ T −4 behavior in the low-temperature Bloch-Grüneisen regime characteristic of unscreened deformation potential scattering. Intrinsic mobilities in excess of 10 5 cm 2 V −1 s −1 are predicted at T < 10 K and high carrier densities (n 10 11 cm −2 ). At 100 K, the mobility does not exceed ∼ 7 × 10 3 cm 2 V −1 s −1 . Our findings provide new and important understanding of the acoustic el-ph interaction and its screening by free carriers, and is of high relevance for the understanding of acoustic phonon limited mobilities in general.

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“…The unscreened el-ph interaction which couples to the carrier density is in real space given by 56,58 …”

Section: Appendix B: Continuum Theory For the Acoustic El-ph Interactmentioning

confidence: 99%

Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS2from first principles

2013

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“…The law is satisfied with an accuracy of 5 − 10% in most metals at room temperature 2 , but fails in the temperature range T ≈ 10 − 100K where the Bloch-Gruneisen form of the resistivity holds 3 . In this range the failure is understood because inelastic phonon scattering degrades thermal and electrical currents differently.…”

Section: Introductionmentioning

confidence: 99%

Failure of the Wiedemann-Franz law in mesoscopic conductors

Vavilov

Stone

2005

Phys. Rev. B

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We study the effect of mesoscopic fluctuations on the validity of the Wiedemann-Franz (WF) law for quasi-one-dimensional metal wires and open quantum dots. At temperatures much less than the generalized Thouless energy, Ec, the WF law is satisfied for each specific sample but as the temperature is raised through Ec a sample-specific correction to the WF law of order 1/g appears (g is the dimensionless conductance) and then tends to zero again at kBT ≫ Ec. The mesoscopic violation of the Weidemann-Franz law is even more pronounced in a ring geometry, for which Lorenz number exhibits h/e flux-periodic Aharonov-Bohm oscillations.

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“…In the lowthroughput approach, the properties are addressed as accurately as possible by using a minimum possible number of assumptions and adjustable parameters. A few articles have been published in this direction, which solve the Boltzmann transport equation [12], and aim at computing all the scattering rates ab initio (e.g., Ref. [13] for SiGe, and Refs.…”

Section: Introductionmentioning

confidence: 99%

Assessing the Thermoelectric Properties of Sintered Compounds via High-ThroughputAb-InitioCalculations

et al. 2011

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Several thousand compounds from the Inorganic Crystal Structure Database have been considered as nanograined, sintered-powder thermoelectrics with the high-throughput ab-initio AFLOW framework. Regression analysis unveils that the power factor is positively correlated with both the electronic band gap and the carrier effective mass, and that the probability of having large thermoelectric power factors increases with the increasing number of atoms per primitive cell. Avenues for further investigation are revealed by this work. These avenues include the role of experimental and theoretical databases in the development of novel materials.

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Introduction to Solid-State Theory

Cited by 681 publications

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Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS2from first principles

Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS2from first principles

Failure of the Wiedemann-Franz law in mesoscopic conductors

Assessing the Thermoelectric Properties of Sintered Compounds via High-ThroughputAb-InitioCalculations

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