Related papers: Vibrational spectrum of solid picene (C_22H_14)
The Raman active G mode in graphene exhibits strong coupling to electrons, yet the comprehensive treatment of this interaction in the calculation of its temperature-dependent Raman spectrum remains incomplete. In this study, we calculate…
While powerful techniques exist to accurately account for anharmonicity in vibrational molecular spectroscopy, they are computationally very expensive and cannot be routinely employed for large species and/or at non- zero vibrational…
Organic compounds are always promising candidates of superconductors with high transition temperatures. We examine this proposal by choosing 2,2$'$-bipyridine solely composed by C, H, and N atoms. The presence of Meissner effect with a…
We perform a comprehensive analysis of the spectrum of graphene plasmons which arise when a pair of sheets are confined between conducting materials. The associated enhanced local fields may be employed in the manipulation of light on the…
The unique properties of graphene offer immense opportunities for applications to many scientific fields, as well as societal needs, beyond our present imagination. One of the important features of graphene is the relatively simple…
Superconducting boron doped silicon is a promising material for integrated silicon quantum devices. In particular, its low electronic density and moderate disorder make it a suitable candidate for the fabrication of large inductances with…
Superconducting transition temperature is calculated for differently doped bilayer cuprates. Superexchange is assumed to be the dominating mechanism of high-temperature superconductivity, but the contribution from the phonon potential is…
First-principles calculations of the electronic structure and vibrational modes, in a system of graphene bilayers and trilayers intercalated with alkaline earth atoms, are resented. It is found that, in similarity to the case of…
Vibrational wavepacket dynamics in the ground (X) and excited (B) electronic states of iodine under impulsive-pump/broadband-probe excitation are revisited. A method for accurate chirp correction, necessary to determine the zero time for…
We propose a new route to achieve the superconducting state in Boron-rich solids, the hole doping of B$_{12}$ icosahedra. For this purpose we consider a prototype metallic phase of B$_{13}$C$_2$. We show that in this compound the Boron…
Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize…
Raman spectroscopy is a powerful tool for characterizing the local properties of graphene. Here, we introduce a method for evaluating unknown strain configurations and simultaneous doping. It relies on separating the effects of hydrostatic…
We discuss the possibility of superconductivity in graphene taking into account both electron-phonon and electron-electron Coulomb interactions. The analysis is carried out assuming that the Fermi energy is far away from the Dirac points,…
Phonon-mediated superconductivity is conventionally thought to be capped at a transition temperature $T_{\mathrm{c}}$ no larger than roughly one-tenth of the phonon frequency $\Omega$, a bound rooted in the breakdown of Migdal-Eliashberg…
We study the model high-temperature superconductor HgBa2CuO4+d with electronic Raman scattering and optical ellipsometry over a wide doping range. The resonant Raman condition which enhances the scattering cross section of "two-magnon"…
A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons (PAHs), such as solid phenanthrene, picene, 1,2;8,9-dibenzopentacene, and…
Lead sulfide is an important semiconductor that has found technological applications for over a century. Raman spectroscopy, a standard tool for the investigation and characterization of semiconductors, has limited application to this…
Twisted bilayer graphene provides a new two-dimensional platform for studying electron interaction phenomena and flat band properties such as correlated insulator transition, superconductivity and ferromagnetism at certain magic angles.…
By applying an unrestricted Hartree-Fock and a Random Phase approximations to a multiband Peierls-Hubbard Hamiltonian, we study the phonon mode structure in models of transition metal oxides in the presence of intrinsic nanoscale…
Water is an ubiquitous liquid that has several exotic and anomalous properties. Despite its apparent simple chemical formula, its capability of forming a dynamic network of hydrogen bonds leads to a rich variety of physics. Here we study…