Direct time-domain determination of electron-phonon coupling strengths in chromium

Wingert, James; Singer, Andrej; Patel, Sheena K. K.; Kukreja, Roopali; Verstraete, Matthieu J.; Romero, Aldo H.; Uhlíř, Vojtěch; Festersen, Sven; Zhu, Diling; Glownia, James M.; Lemke, H.; Nelson, S.; Kozina, Michael; Murphy, Bridget; Magnussen, Olaf M.; Fullerton, Eric E.; Shpyrko, Oleg

doi:10.1103/physrevb.102.041101

Cited by 6 publications

(5 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In fact, a large number of theoretical calculations for this important physical quantity have been implemented under different methods for various metals [ 32 , 33 , 39 , 40 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 ]. Nonetheless, from very low electron temperatures(∼300 K) to very high electron temperature (>2000 K), different models provide estimations varying by a factor of two at the least and up to an order of magnitude [ 49 ].…”

Section: Introductionmentioning

confidence: 99%

Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

et al. 2022

View full text Add to dashboard Cite

The rate of energy transfer between electrons and phonons is investigated by a first-principles framework for electron temperatures up to Te = 50,000 K while considering the lattice at ground state. Two typical but differently complex metals are investigated: aluminum and copper. In order to reasonably take the electronic excitation effect into account, we adopt finite temperature density functional theory and linear response to determine the electron temperature-dependent Eliashberg function and electron density of states. Of the three branch-dependent electron–phonon coupling strengths, the longitudinal acoustic mode plays a dominant role in the electron–phonon coupling for aluminum for all temperatures considered here, but for copper it only dominates above an electron temperature of Te = 40,000 K. The second moment of the Eliashberg function and the electron phonon coupling constant at room temperature Te=315 K show good agreement with other results. For increasing electron temperatures, we show the limits of the T=0 approximation for the Eliashberg function. Our present work provides a rich perspective on the phonon dynamics and this will help to improve insight into the underlying mechanism of energy flow in ultra-fast laser–metal interaction.

show abstract

Section: Introductionmentioning

confidence: 99%

Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

et al. 2022

View full text Add to dashboard Cite

show abstract

“…The short pulses may be employed to address fundamental questions on the structural dynamics of electrochemical systems on femto- to nanosecond time scales. Such ultrafast X-ray scattering studies have already been demonstrated for molecular systems and thin films. − They necessarily employ pump–probe approaches and thus will require systems that allow highly repeatable measurements.…”

Section: Discussionmentioning

confidence: 99%

In Situ and Operando X-ray Scattering Methods in Electrochemistry and Electrocatalysis

Magnussen,

Drnec,

Qiu

et al. 2024

Chem. Rev.

View full text Add to dashboard Cite

show abstract

“…Unlike other empirical potentials, the EGTB potentials meet this aforementioned objective. Figure 2 displays calculated harmonic phonon dispersion relations in the irreducible wedge of the Brillouin zone for these three transition metals at T = 0 K. For the sake of comparison with the present computations, few DFT data from the literature, locating principally at the limits of the Brillouin zone, are also displayed in these figures [68][69][70], whereas experimental data are taken from reference experiments at room temperature [71][72][73]. It is worth noting that among the aforementioned DFT data these corresponding to the antiferromagnetic Cr were obtained within the generalized gradient approximation of DFT.…”

Section: Lattice Dynamicsmentioning

confidence: 97%

“…Unlike the last, the agreement between the present calculations and the experiment, in particular for Mo and W, is very good. Squares with upper left diagonal fill, with lower right diagonal fill and full triangles represent DFT results from the literature for Cr [70], Mo [69] and W [68].…”

Section: Thermal Propertiesmentioning

confidence: 99%

Phenomenological potentials for the refractory metals Cr, Mo and W

Baldinozzi¹,

Pontikis²

2022

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Cohesion in the refractory metals Cr, Mo, and W is phenomenologically described in this work via a n-body energy functional with a set of physically motivated parameters that were optimized to reproduce selected experimental properties characteristic of perfect and defective crystals. The functional contains four terms accounting for the hard-core repulsion, the Thomas-Fermi kinetic energy repulsion and for contributions to the binding energy of s and d valence electrons. Lattice dynamics, molecular statics, and molecular dynamics calculations show that this model describes satisfactorily thermodynamic properties of the studied metals whereas, unlike other empirical approaches from the literature, predictions of phonon dispersion relations and of surface and point defect energetics reveal in fair good agreement with experiments. These results suggest that the present model is well adapted to large-scale simulations and whenever total energy calculations of thermodynamic properties are unfeasible.

show abstract

Direct time-domain determination of electron-phonon coupling strengths in chromium

Cited by 6 publications

References 43 publications

Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

In Situ and Operando X-ray Scattering Methods in Electrochemistry and Electrocatalysis

Phenomenological potentials for the refractory metals Cr, Mo and W

Contact Info

Product

Resources

About