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Using density functional molecular dynamics simulations, we analyze the broken chemical order in a GeS$_2$ glass and its impact on the dynamical properties of the glass through the in-depth study of the vibrational eigenvectors. We find…
We describe a new optical diagnostic for determining the composition of gases by measuring the motion of atoms and molecules trapped within very deep optical lattices. This non-resonant method is analogous to conventional Raman scattering,…
Potassium (K) intercalated manganese phthalocyanine (MnPc) reveals vast changes of its electronic states close to the Fermi level. However, theoretical studies are controversial regarding the electronic configuration. Here, MnPc doped with…
We have employed the method of spectral moments to study the density of vibrational states and the Raman coupling coefficient of large 2- and 3- dimensional percolators at threshold and at higher concentration. We first discuss the over-and…
A study of the $\lambda$- and $N$-atomic configurations under dipolar interaction with $2$ modes of electromagnetic radiation is presented. The corresponding quantum phase diagrams are obtained by means of a variational procedure. Both…
Investigating LaNi(1-x)M(x)O3 (M = Mn and Fe), we identify a characteristic evolution of the spectral function with increasing disorder in presence of strong interaction effects across the metal-insulator transition. We discuss these…
Electronic conduction through single molecules is affected by the molecular electronic structure as well as by other information that is extremely difficult to assess, such as bonding geometry and chemical environment. The lack of an…
p-type doping of molecular-beam-epitaxy grown layers of the diluted magnetic semiconductor Zn(1-x)MnxTe is achieved by using an active nitrogen cell. The strong interaction between the localized Mn spins and the holes deeply modifies the…
In a metallic manganite like La(2/3)Sr(1/3)MnO(3), the substitution of Mn(+3) by Ga(+3) dilutes the ferromagnetic order and locally cancels the Jahn-Teller distortion, without heavily affecting the crystal structure. One can thus follow the…
Magneto-Raman scattering experiments from the surface of graphite reveal novel features associated to purely electronic excitations which are observed in addition to phonon-mediated resonances. Graphene-like and graphite domains are…
Plasmonic molecular nanojunctions exhibit opto-mechanical coupling at the nanoscale, enabling intertwined optical, vibrational and electronic phenomena. Here, we demonstrate plasmon-mediated phonon pumping, driven by inelastic electron…
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…
Systematic investigations of the structural and magnetic properties of single crystal (Ga,Mn)N films grown by metal organic vapor phase epitaxy are presented. High resolution transmission electron microscopy, synchrotron x-ray diffraction,…
Nitrogen doping in graphene has important implications in graphene-based devices and catalysts. We have performed the density functional theory calculations to study the electronic structures of N-doped graphene with vacancies and…
Mn$_3$GaC undergoes a ferromagnetic to antiferromagnetic, volume discontinuous cubic-cubic phase transition as a function of temperature, pressure and magnetic field. Through a series of temperature dependent x-ray absorption fine structure…
Mn-doped GaAs thin films were grown at a high substrate temperature of 580 C. During the growth process, the Mn cell temperature was ramped at different rates, resulting in a variety of different Mn concentration depth profile slopes, as…
Fundamental optical properties of thin films of (Ga,Mn)As diluted ferromagnetic semiconductor with a low (1%) and high (6%) Mn content and of a reference GaAs film, grown by low-temperature molecular-beam epitaxy, have been investigated by…
The vibrational frequency of hydrogen molecules has been observed to increase strongly with He concentration in helium hydrogen fluid mixtures. This has been associated with He-H interactions, either directly through chemical bonding, or…
Atomically engineered oxide heterostructures provide a fertile ground for creating novel states. For example, a two-dimensional electron gas at the interface between two oxide insulators, giant thermoelectric Seebeck coefficient, emergent…
Theoretical work has suggested that monolayer MoS2 doped with Mn should behave as a two-dimensional dilute magnetic semiconductor, which would open up possibilities for spintronic applications, device physics, and novel ground states. The…