Samir F Matar

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We study the basic mechanisms allowing light to photoswitch at the molecular scale a spin-crossover material from a low- to a high-spin state. Combined femtosecond x-ray absorption performed at LCLS X-FEL and optical spectroscopy reveal that the structural stabilization of the photoinduced high-spin state results from a two step structural trapping.(More)
Few photoactive molecules undergo a complete transformation of physical properties (magnetism, optical absorption, etc.) when irradiated with light. Such phenomena can happen on the time scale of fundamental atomic motions leading to an entirely new state within less than 1 ps following light absorption. Spin crossover (SCO) molecules are prototype systems(More)
Ab initio computations are reported for both the isolated molecule and the extended solid within the density functional theory to assess the electronic structure and derived physical properties of [Fe(phen)2(NCS)2] in which FeII is characterized by either one of two spin states, i. e. high spin (HS, t2geg) and low spin (LS, t2geg). For molecular HS and LS(More)
We combine ultrafast optical spectroscopy with femtosecond X-ray absorption to study the photo-switching dynamics of the [Fe(PM-AzA)2(NCS)2] spin-crossover molecular solid. The light-induced excited spin-state trapping process switches the molecules from low spin to high spin (HS) states on the sub-picosecond timescale. The change of the electronic state(More)
The dinitrides CN2, SiN2, and GeN2 in assumed pyrite-type structures are studied by means of density functional theory using both ultrasoft pseudopotentials and the augmented spherical wave (ASW) method. The former two materials constitute the large-x limit of the broader class of CNx and SiNx compounds, which are well known for their interesting mechanical(More)
The hydride NdCoSiH obtained by exposure at 523 K of the ternary antiferromagnet NdCoSi under a pressure of 4 MPa of hydrogen crystallizes in the tetragonal ZrCuSiAs-type structure where H atoms occupy the tetrahedral [Nd(4)] site. The hydrogenation induces an increase in the unit cell volume close to 6%. The investigation of NdCoSiH by magnetization(More)