3 research outputs found
All-optical seeding of a light-induced phase transition with correlated disorder
Ultrafast manipulation of vibrational coherence is an emergent route to
control the structure of solids. However, this strategy can only induce
long-range correlations and cannot modify atomic structure locally, which is
required in many technologically-relevant phase transitions. Here, we
demonstrate that ultrafast lasers can generate incoherent structural
fluctuations which are more efficient for material control than coherent
vibrations, extending optical control to a wider range of materials. We observe
that local, non-equilibrium lattice distortions generated by a weak laser pulse
reduce the energy barrier to switch between insulating and metallic states in
vanadium dioxide by 6%. Seeding inhomogeneous structural-fluctuations presents
an alternative, more energy efficient, route for controlling materials that may
be applicable to all solids, including those used in data and energy storage
devices
Local Description with Lewis Structures at the Hückel Level
International audienceThe chapter describes two approaches that aim at a semi-empirical description of Lewis structures and their interaction, within the Hückel method framework. They have been embedded in the HuLiS program, which is freely available since 2008. Two methods are described and discussed here. They are based either on a dressed Configuration Interaction (CI) hamiltonian matrix, called Hückel-Lewis-CI (HL-CI), or on an overlap-based approach, called the Hückel-Lewis-Projection method (HL-P)