A geometric Berry phase angle induced in Im-3m H3S at 200 GPa by ultra-fast laser pulses

Abstract

We investigated Im-3m H3S at 200 GPa, a pressure regime where crystalline H3S is widely considered to be a superconductor. Simulated circularly polarized 10 femtosecond (fs) laser pulses were applied and we quantified the effects on the electron dynamics both during the application of the ultra-fast laser pulse and 5.0 fs after the pulse was switched off. In addition, the carrier-envelope phase (CEP) angle ϕ, which quantifies the relationship between the time-varying direction of electric (E)-field and the amplitude envelope, is employed to control the time evolution of the wavefunction ψ(r). This is undertaken for the first application of Next Generation Quantum Theory of Atoms in Molecules (NG-QTAIM) to the solid state. Ultra-fast phenomena related to superconductivity are discovered in the form of a geometric Berry phase angle associated with the H--H bonding in addition to very high values of the chirality–helicity function that correspond to values normally found in chiral molecules. Future applications are discussed, including chiral spin selective phenomena in addition to high-temperature superconductivity and organic superconductors where phonons do not play a significant role.