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By applying an unrestriced Hartree-Fock approximation and a Random Phase approximation to multiband Peierls-Hubbard Hamiltonians, we determine the phonon mode structure in models of transition metal oxides in the presence of intrinsic…
The study of non-Fermi liquids sheds light on unconventional phenomena in condensed matter systems that lie beyond the scope of Landau Fermi liquid theory. One intriguing example is the Bose metal, characterized by an uncondensed bosonic…
We have developed a microscopic theory for the generation and detection of coherent phonons in armchair and zigzag carbon nanoribbons using an extended tight-binding model for the electronic states and a valence force field model for the…
Topological insulators (TIs) are materials that have a bulk electronic band gap like an ordinary insulator but have protected conducting states on their surface. One of the most interesting properties of TIs is their spin helicity, whereby…
Graphene is considered one of the most promising materials for future electronic. However, in its pristine form graphene is a gapless material, which imposes limitations to its use in some electronic applications. In order to solve this…
Quantum simulations can provide new insights into the physics of strongly correlated electronic systems. A well studied system, but still open in many regards, is the Hubbard-Holstein Hamiltonian, where electronic repulsion is in…
The rapid advances in the study of fractional Chern insulators (FCIs) raise a fundamental question: while initially discovered in flat Chern bands motivated by their topological equivalence to Landau levels, is single- particle band…
The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising for hosting such states, as their vibrational dispersion…
The assessed phase diagram of the boron-carbon system contains a single non-stoichiometric boron-carbide phase of rhombohedral symmetry with a broad, thermodynamically improbable, low temperature composition range. We combine first…
Topological semimetals are characterized by their intriguing Fermi surfaces (FSs) such as Weyl and Dirac points, or nodal FS, and their associated surface states. Among them, topological crystalline semimetals, in the presence of strong…
We investigated the magnetoterahertz response of the Dirac semimetal Cd$_3$As$_2$ and observed a particularly low frequency optical phonon, as well as a very prominent and field sensitive cyclotron resonance. As the cyclotron frequency is…
Four sp3 carbon allotropes with six, eight, and 16 atoms per primitive cell have been derived using a combination of metadynamics simulations and topological scan. A chiral orthorhombic phase oC16 (C2221) was found to be harder than…
We formulate and apply a theory of electron-phonon interactions for the surface state of a strong topological insulator. Phonons are modelled using an isotropic elastic continuum theory with stress-free boundary conditions and interact with…
The Cooper pair Bose metal (CPBM) is a non-superfluid quantum phase in which uncondensed fermion pairs form a "Bose surface" in momentum space. We investigate the CPBM in the two-dimensional spin-anisotropic attractive Hubbard model by…
In 2015, a new two dimensional (2D) carbon allotrope, called phagraphene, was theoretically proposed. Based on this structure, we propose here a new boron nitride structure called phaBN. It is composed by three types of rings: pentagons,…
Establishing a minimal microscopic model for cuprates is a key step towards the elucidation of a high-$T_c$ mechanism. By a quantitative comparison with a recent \emph{in situ} angle-resolved photoemission spectroscopy measurement in doped…
In this paper we investigate from first principles the effect of the electron-phonon interaction in two paradigmatic nanostructures: trans-polyacetylene and polyethylene. We found that the strong electron-phonon interaction leads to the…
In condensed matter physics many features can be understood in terms of their topological properties. Here we report evidence of a topological quantum transition driven by the charge-phonon coupling in the spinless Haldane model on a…
Based on first-principles calculations and tight-binding model analysis, we propose that black phosphorus (BP) can host a three-dimensional topological node-line semimetal state under pressure when spin-orbit coupling (SOC) is ignored. A…
Graphite may be viewed as a low-surface-energy carbon allotrope with little layer-layer interaction. Other low-surface-energy allotropes but with much stronger layer-layer interaction may also exist. Here, we report a first-principles…