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D. Novko

Publications and source records attributed to D. Novko.

3 recordsLinked to original sources

Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics

The time dynamics of the energy flow from electronic to lattice degrees of freedom in pump-probe setups could be strongly affected by the presence of a hot-phonon bottleneck, which can sustain longer coherence of the optically excited electronic states. Recently, hot-phonon physics has been experimentally observed and theoretically described in MgB$_2$, the electron-phonon based superconductor with $T_{\rm c}\approx 39$ K. By employing a combined ab-initio and quantum-field-theory approach and by taking MgB$_2$ as an example, here we propose a novel path for revealing the presence and characterizing the properties of hot phonons through a direct analysis of the information encoded in the lattice inter-atomic correlations. Such method exploits the underlying symmetry of the $E_{2g}$ hot modes characterized by a out-of-phase in-plane motion of the two boron atoms. Since hot phonons occur typically at high-symmetry points of the Brillouin zone, with specific symmetries of the lattice displacements, the present analysis is quite general and it could aid in revealing the hot-phonon physics in other promising materials, such as graphene, boron nitride, or black phosphorus.

cond-mat.mtrl-sci

Ultrafast Hot Phonon Dynamics in MgB$_2$ Driven by Anisotropic Electron-Phonon Coupling

The zone-center $E_{2g}$ modes play a crucial role in MgB$_2$, controlling the scattering mechanisms in the normal state as well the superconducting pairing. Here, we demonstrate via first-principles quantum-field theory calculations that, due to the anisotropic electron-phonon interaction, a $hot$-$phonon$ regime where the $E_{2g}$ phonons can achieve significantly larger effective populations than other modes, is triggered in MgB$_2$ by the interaction with an ultra-short laser pulse. Spectral signatures of this scenario in ultrafast pump-probe Raman spectroscopy are discussed in detail, revealing also a fundamental role of nonadiabatic processes in the optical features of the $E_{2g}$ mode.

cond-mat.mtrl-sci

Ultrafast Transient Dynamics of Adsorbates on Surfaces Deciphered: The Case of CO on Cu(100)

Time-resolved vibrational spectroscopy constitutes an invaluable experimental tool for monitoring hot-carrier induced surface reactions. However, the absence of a full understanding on the precise microscopic mechanisms causing the transient spectral changes has been limiting its applicability. Here we introduce a robust first-principles theoretical framework that successfully explains both the nonthermal frequency and linewidth changes of the CO internal stretch mode on Cu(100) induced by femtosecond laser pulses. Two distinct processes engender the changes: electron-hole pair excitations underlie the nonthermal frequency shifts, while electron-mediated vibrational mode coupling gives rise to linewidth changes. Furthermore, the origin and precise sequence of coupling events are finally identified.

cond-mat.mtrl-sci