Interaction of thin tungsten and tantalum films with ultrashort laser pulses: calculations from first principles

TL;DR

This study uses first-principles calculations to explore how ultrashort laser pulses affect the structural stability and melting thresholds of thin tungsten and tantalum films, revealing temperature-induced hardening and instability effects.

Contribution

It provides new insights into the atomic-level interactions and phase stability of W and Ta films under ultrafast laser excitation using first-principles methods.

Findings

Tantalum lattice hardens at low electron temperatures, increasing melting threshold.

W and Ta structures become dynamically unstable at high electron temperatures (>22 kK).

Complete melting occurs on sub-picosecond timescale due to electronic heating.

Abstract

The interaction of ultrashort laser pulses with thin tungsten and tantalum films is investigated through the full-potential band-structure calculations. Our calculations show that at relatively low absorbed energies (the electron temperature $T_e$$\lesssim$7 kK), the lattice of tantalum undergoes noticeable hardening. The hardening leads to the change of the tantalum complete melting threshold under these conditions. Calculations suggest that for the isochorically heated Ta film, if such hardening really occurs, the complete melting threshold will be at least 25% higher. It is also shown that the body-centered cubic structures of W and Ta crystals become dynamically unstable when the electronic subsystem is heated to sufficiently high temperatures ($T_e$$>$22 kK). This lead to their complete melting on the sub-picosecond time scale.