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We propose a new method for accurately calculating electrical transport properties of a lightly-doped thermoelectric material from density functional theory (DFT) calculations, based on experimental data and density functional theory…

Materials Science · Physics 2014-01-14 Alireza Faghaninia , Cynthia S. Lo

The single-band current-dipole Kubo formula for the dynamical conductivity of heavily doped graphene from Kup\v{c}i\'{c} [Phys. Rev. B 91, 205428 (2015)] is extended to a two-band model for conduction $\pi$ electrons in lightly doped…

Mesoscale and Nanoscale Physics · Physics 2016-08-25 I. Kupčić , G. Nikšić , Z. Rukelj , D. Pelc

We report the results of \textit{ab initio} simulations of the electronic properties of a chain of C$_{60}$ molecules encapsulated in a boron nitride nanotube - so called BN-nanopeapod. It is demonstrated that this structure can be…

Mesoscale and Nanoscale Physics · Physics 2012-12-07 Vladimir Timoshevskii , Michel Cote

The superconducting phase of the 2D one-band Hubbard model is studied within the FLEX approximation and by using an Eliashberg theory. We investigate the doping dependence of $T_c$, of the gap function $\Delta ({\bf k},\omega)$ and of the…

Condensed Matter · Physics 2009-10-28 S. Grabowski , M. Langer , J. Schmalian , K. H. Bennemann

We report on n-type degenerate doping in MOVPE grown \b{eta}-(Al0.26Ga0.74)2O3 epitaxial thin films and modulation doping in \b{eta}-(Al0.26Ga0.74)2O3/\b{eta}-Ga2O3 heterostructure. Alloy composition is confirmed using HRXRD measurements.…

While space-charge-limited current measurements are often used to characterize charge-transport in relatively intrinsic, low-mobility semiconductors, it is currently difficult to characterize lightly or heavily doped semiconductors with…

Applied Physics · Physics 2020-12-02 Jason A. Röhr , Roderick C. I. MacKenzie

Using Monte Carlo electronic transport simulations, coupled self-consistently with the Poisson equation for electrostatics, we explore the thermoelectric power factor of nanoengineered materials. These materials consist of alternating…

Materials Science · Physics 2024-07-18 Pankaj Priyadarshi , Vassilios Vargiamidis , Neophytos Neophytou

We present a systematic study for understanding the relation between electronic correlation and superconductivity in C60 and aromatic compounds. We derived, from first principles, extended Hubbard models for twelve compounds; fcc K3C60,…

Superconductivity · Physics 2012-04-27 Yusuke Nomura , Kazuma Nakamura , Ryotaro Arita

We investigate the field emission properties of nitrogenated and boronated carbon nanotubes using time-dependent density functional theory, were the wave function propagation is performed using the Crank-Nicholson algorithm. We extract the…

Materials Science · Physics 2015-05-20 Sherif Tawfik , Salah Sheikh , Noha Salem

Within the t-t'-J model, the doping dependence of charge dynamics in electron-doped cuprates is studied. The conductivity spectrum shows a pseudogap structure with a low-energy peak appearing at $\omega\sim 0$ and an rather sharp…

Strongly Correlated Electrons · Physics 2009-11-10 Tianxing Ma , Huaiming Guo , Shiping Feng

We develop a theory for the maximum achievable mobility in modulation-doped 2D GaAs-AlGaAs semiconductor structures by considering the momentum scattering of the 2D carriers by the remote ionized dopants which must invariably be present in…

Mesoscale and Nanoscale Physics · Physics 2015-05-08 S. Das Sarma , E. H. Hwang , S. Kodiyalam , L. N. Pfeiffer , K. W. West

We propose a possible scenario for the new metallic conductivity of underdoped and optimally doped cuprates. Charge carriers are assumed to be large polarons which form a Fermi-liquid and Cooper-like pairs below a crossover tempurature…

Superconductivity · Physics 2007-05-23 S. Dzhumanov , E. Dushanov

The theoretical approach proposed recently for description of redistribution of electronic charge in multilayered selectively doped systems is modified for a system with finite number of layers. A special attention is payed to the case of a…

Superconductivity · Physics 2013-05-29 V. M. Loktev , Yu. G. Pogorelov

We present a simple theory of thermoelectric transport in bilayer graphene and report our results for the electrical resistivity, the thermal resistivity, the Seebeck coefficient, and the Wiedemann-Franz ratio as functions of doping density…

Mesoscale and Nanoscale Physics · Physics 2019-05-01 Mohammad Zarenia , Giovanni Vignale , Thomas Benjamin Smith , Alessandro Principi

In a recent paper (J.H. Schon, Ch. Kloc, R.C. Haddon and B. Batlogg, Nature 408 (2000) 549) a large increase in the superconducting critical temperature was observed in C60 doped with holes by application of a high electric field. We…

Superconductivity · Physics 2009-11-07 G. A. Ummarino , R. S. Gonnelli

Traditional inorganic semiconductors can be electronically doped with high precision. Conversely, there is still conjecture regarding the assessment of the electronic doping density in metal-halide perovskites, not to mention of a control…

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 T. O. Wehling , K. S. Novoselov , S. V. Morozov , E. E. Vdovin , M. I. Katsnelson , A. K. Geim , A. I. Lichtenstein

The implementation of graphene in semiconducting technology requires the precise knowledge about the graphene-semiconductor interface. In our work the structure and electronic properties of the graphene/$n$-Ge(110) interface are…

Networks of semiconducting single-walled carbon nanotubes (SWNTs) are a promising material for thermoelectric energy harvesting due to their mechanical flexibility, solution processability, high Seebeck coefficients and high electrical…

The interplay between inter- and intra-chain charge transport in bulk polythiophene in the hopping regime has been clarified by studying the conductivity as a function of frequency (up to 3 THz), temperature and doping level. We present a…

Soft Condensed Matter · Physics 2009-10-31 J. A. Reedijk , H. C. F. Martens , H. B. Brom , M. A. J. Michels
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