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Departamento de Física de la Materia Condensada

Seminario: "Atomistic ElectroniX"

Juan José Palacios
Institución de origen
Departamento de Física de la Materia Condensada
Sala de Seminarios del departamento C03 planta 5

The activity in my group over the past few years spans several research topics that range from the theoretical study of (spin-related) transport phenomena [1,2] to, more recently, linear and non-linear optical responses [3,4] mostly of two-dimensional crystals. In this talk, after a brief overview of this activity, I will focus my discussion on two quite different problems: First, the so-called chirality induced spin selectivity in molecular junctions [5] and second, the photogalvanic bulk effect in non-centrosymmetric crystals. On a qualitative level, the use of group theory turns out key to our understanding of the response of materials to external stimuli. When combined with atomistic simulations and contrasted with experiments, a comprehensive picture of the physical phenomena just mentioned seems to emerge.

[1] Few-layer antimonene electrical properties, P Ares et al., Applied Materials Today 24, 101132 (2021).

[2] Charge-spin interconversion in graphene-based systems from density functional theory, M Rassekh, et al. Physical Review B 104 (23), 235429 (2021).

[3] A comprehensive study of the velocity, momentum and position matrix elements for Bloch states using a local orbital basis, JJ Esteve-Paredes and JJ Palacios, arXiv preprint arXiv:2201.12290, scipost_202208_00050v2.

[4] A theoretical approach for electron dynamics and ultrafast spectroscopy, G Cistaro et al., arXiv preprint arXiv:2207.00249.

[5] A group-theoretic approach to the origin of chirality-induced spin selectivity in non-magnetic molecular junctions, W Dednam et al., arXiv preprint arXiv:2211.04830.



(Sala de Seminarios del Departamento C03 planta 5)

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