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We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 E. Ridolfi , D. Le , T. S. Rahman , E. R. Mucciolo , C. H. Lewenkopf

We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological…

Mesoscale and Nanoscale Physics · Physics 2014-12-18 Awadhesh Narayan , Domenico Di Sante , Silvia Picozzi , Stefano Sanvito

Theory of superconductivity in two-band non-adiabatic systems with strong electron correlations in the linear approximation over non-adiabaticity is built in the article. Having assumed weak electron-phonon interaction analytical…

Superconductivity · Physics 2007-05-23 M. E. Palistrant , V. A. Ursu

We develop a theory for manipulating the effective band structure of interacting helical edge states realized on the boundary of two-dimensional time-reversal symmetric topological insulators. For sufficiently strong interaction, an…

Strongly Correlated Electrons · Physics 2021-11-24 Yang-Zhi Chou , Jennifer Cano , J. H. Pixley

Tetrachiral materials are characterized by a cellular microstructure made by a periodic pattern of stiff rings and flexible ligaments. Their mechanical behaviour can be described by a planar lattice of rigid massive bodies and elastic…

Materials Science · Physics 2018-03-05 Marco Lepidi , Andrea Bacigalupo

Graphynes represent an emerging family of carbon allotropes that recently attracted much interest due to the tunability of the Dirac cones in the band structure. Here, we show that the spin-orbit couplings in $\beta$-graphyne could produce…

Mesoscale and Nanoscale Physics · Physics 2014-08-27 Guido van Miert , Cristiane Morais Smith , Vladimir Juricic

We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…

Materials Science · Physics 2009-10-31 Stefano Fabris , Anthony T. Paxton , Michael W. Finnis

The simplest tight-binding model is used to study lattice effects on two properties of doped graphene: i) magnetic orbital susceptibility and ii) regular Friedel oscillations, both suppressed in the usual Dirac cone approximation. i) An…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 G. Gómez-Santos , T. Stauber

We show that electrons in ordinary III-V semiconductor double wells with an in-plane modulating periodic potential and inter well spin-orbit interaction are tunable Topological Insulators (TIs). Here the essential TI ingredients, namely,…

Mesoscale and Nanoscale Physics · Physics 2015-02-10 Sigurdur I. Erlingsson , J. Carlos Egues

We formulate the effective Hamiltonian of Rashba spin-orbit coupling (RSOC) in $\mathrm{LaAlO_3/SrTiO_3}$ (LAO/STO) heterostructures. We derive analytical expressions of properties, e.g., Rashba parameter, effective mass, band edge energy…

Mesoscale and Nanoscale Physics · Physics 2020-06-18 Cong Son Ho , Weilong Kong , Ming Yang , Andrivo Rusydi , Mansoor B. A. Jalil

A critical result in superconductivity is that flat bands, though dispersionless, can still host nonzero superfluid weight due to quantum geometry. We show that the derivation of the mean field superfluid weight in previous literature is…

We study transport across a time-dependent magnetic barrier present on the surface of a three-dimensional topological insulator. We show that such a barrier can be implemented for Dirac electrons on the surface of a three-dimensional…

Mesoscale and Nanoscale Physics · Physics 2020-07-29 Adithi Udupa , K. Sengupta , Diptiman Sen

We present a robust tight-binding description, based on the Slater-Koster formalism, of the band structure of H$_3$S in the {\em Im}$\bar{3}${\em m} structure, stable in the range of pressure $P = 180-220$ GPa. We show that the interatomic…

Strongly Correlated Electrons · Physics 2016-08-23 Luciano Ortenzi , Emmanuele Cappelluti , Luciano Pietronero

We perform an instability analysis of the Emery three-band model at hole doping and weak coupling within a channel-decomposed functional renormalization group flow proposed in Phys. Rev. B 79, 195125 (2009). In our approach, momentum…

Strongly Correlated Electrons · Physics 2013-12-13 Stefan A. Maier , Jutta Ortloff , Carsten Honerkamp

The two-orbital superconducting state is modeled by on-site intra-orbital negative-U Hubbard correlations together with inter-orbital pair-transfer interactions. The critical temperature is mainly governed by intra-orbital attractive…

Superconductivity · Physics 2015-06-05 Grzegorz Litak , Teet Örd , Küllike Rägo , Artjom Vargunin

The Seebeck coefficient is examined for two-dimensional Dirac electrons in the three-quarter filled organic conductor alpha-(BEDT-TTF)_2I_3 under hydrostatic pressure, where the Seebeck coefficient is proportional to the ratio of the…

Mesoscale and Nanoscale Physics · Physics 2024-04-10 Yoshikazu Suzumura , Takao Tsumuraya , Masao Ogata

The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the…

Superconductivity · Physics 2013-08-28 Rong Yu , Jian-Xin Zhu , Qimiao Si

This work theoretically explores how to emulate twisted double bilayer graphene with ultracold atoms in multiorbital optical lattices. In particular, the quadratic band touching of Bernal stacked bilayer graphene is emulated using a square…

Quantum Gases · Physics 2021-12-28 Junhyun Lee , J. H. Pixley

Flexible long period moir\' e superlattices form in two-dimensional van der Waals crystals containing layers that differ slightly in lattice constant or orientation. In this Letter we show theoretically that isolated flat moir\' e bands…

Mesoscale and Nanoscale Physics · Physics 2018-07-12 Fengcheng Wu , Timothy Lovorn , Emanuel Tutuc , A. H. MacDonald

The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…

Materials Science · Physics 2025-08-05 Jacques R. Eone