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We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the different terms of the energy are modified and we derive reduced…

数学物理 · 物理学 2021-12-24 David Gontier , Salma Lahbabi , Abdallah Maichine

We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…

材料科学 · 物理学 2022-01-27 Gautam Sharma , K. C. Bhamu

Thermoelectric power (TEP) is measured in bilayer graphene for various temperatures and charge-carrier densities. At low temperatures, measured TEP well follows the semiclassical Mott formula with a hyperbolic dispersion relation. TEP for a…

介观与纳米尺度物理 · 物理学 2010-12-14 Seung-Geol Nam , Dong-Keun Ki , Hu-Jong Lee

The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…

强关联电子 · 物理学 2015-06-16 Mehdi Kargarian , Gregory A. Fiete

PbTe is a leading mid-range thermoelectric material with a $zT$ that has been enhanced by, amongst other methods, band engineering. Here we present an experimental study of the Hall effect, quantum oscillations, specific heat, and electron…

We study the dynamical thermoelectric transport in metals subjected to the electron-impurity and the electron-phonon interactions using the memory function formalism. We introduce a generalized Drude form for the Seebeck coefficient in…

强关联电子 · 物理学 2017-05-23 Pankaj Bhalla , Pradeep Kumar , Nabyendu Das , Navinder Singh

We investigate the thermoelectric propeties of the electron-doped FeAs$_2$ both experimentally and theoretically. Electrons are doped by partially substituting Se for As, which leads to a metallic behavior in the resistivity. A Seebeck…

材料科学 · 物理学 2013-09-06 Hidetomo Usui , Kazuhiko Kuroki , Seiya Nakano , Kazutaka Kudo , Minoru Nohara

The thermoelectric response of 80-nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the…

介观与纳米尺度物理 · 物理学 2021-12-14 G. M. Gusev , Z. D. Kvon , A. D. Levin , N. N. Mikhailov

Efficient thermoelectric materials require a rare and contraindicated combination of materials properties: large electrical conductivity, large Seebeck coefficient, and low thermal conductivity. One strategy to achieve the first two…

材料科学 · 物理学 2019-01-30 Eric B. Isaacs , Chris Wolverton

The role of dimensionality on the electronic performance of thermoelectric devices is clarified using the Landauer formalism, which shows that the thermoelectric coefficients are related to the transmission, T(E), and how the conducing…

介观与纳米尺度物理 · 物理学 2011-09-15 Raseong Kim , Supriyo Datta , Mark S. Lundstrom

The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy band theory for warm dense matter (WDM) is proposed and a new…

等离子体物理 · 物理学 2018-12-21 Chang Gao , Shen Zhang , X. T. He , Wei Kang , Ping Zhang , Mohan Chen , Cong Wang

We investigate the electrical conductivity and thermoelectric effects in topological crystalline insulators in the presence of short- and long-range impurity interactions. We employ the generalized Boltzmann formalism for anisotropic Fermi…

介观与纳米尺度物理 · 物理学 2016-11-29 Babak Zare Rameshti , Reza Asgari

Electronic frustration and strong correlations may lead to large Seebeck coefficients. To understand this physics on general grounds, we compute the thermopower of the one-band Hubbard model on the 3-dimensional fcc lattice over the whole…

强关联电子 · 物理学 2013-10-18 Louis-François Arsenault , B. Sriram Shastry , Patrick Sémon , A. -M. S. Tremblay

Quantum strongly correlated matter exhibits properties which are not easily explainable in the conventional framework of Fermi liquids. Universal effective field theory tools are applicable in these cases regardless of the microscopic…

强关联电子 · 物理学 2022-08-11 Tomas Andrade , Alexander Krikun

This article is a review o over theory of superconductivity, which is constructed for systems with two overlapping energy bands at the Fermi surface and with arbitrary charge carrier density.There is taken into account all possible kinds of…

超导电性 · 物理学 2007-05-23 M. E. Palistrant

We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…

材料科学 · 物理学 2015-05-11 K. Kutorasinski , B. Wiendlocha , S. Kaprzyk , J. Tobola

Recent research on twisted bilayer graphene (TBG) uncovered that its twist-angle-dependent electronic structure leads to a host of unique properties, such as superconductivity, correlated insulating states, and magnetism. The flat bands…

介观与纳米尺度物理 · 物理学 2021-03-29 Adithya Kommini , Zlatan Aksamija

We study theoretically the effects of anisotropy on the thermoelectric performance of $p$-type AgBiSe$_2$. We present an apparent realization of the thermoelectric benefits of one-dimensional "plate-like" carrier pocket anisotropy in the…

材料科学 · 物理学 2015-05-14 David Parker , Andrew F. May , David J. Singh

High-performance thermoelectric oxides could offer a great energy solution for integrated and embedded applications in sensing and electronics industries. Oxides, however, often suffer from low Seebeck coefficient when compared with other…

材料科学 · 物理学 2020-08-25 M. Hussein N. Assadi , J. Julio Gutiérrez Moreno , Marco Fronzi

Optical and transport properties of materials depend heavily upon features of electronic band structures in proximity to energy extrema in the Brillouin zone (BZ). Such features are generally described in terms of multi-dimensional…

材料科学 · 物理学 2014-04-29 Nicholas A. Mecholsky , Lorenzo Resca , Ian L. Pegg , Marco Fornari