By first-principles time-dependent density-functional calculations, we show the relevance of relativistic effects to shape the photoabsorption cross section of small gold clusters (Au(n), n < or = 8, and n = 20) and small nanowires (n < or = 7). The relativistic effects not only dictate the stabilization of planar geometries (as it has already been shown by treating the core electrons relativis...

Abstract— In general, most of communication satellites were designed to be operated in geostationary orbit. And many of them were designed in prolate dual-spin configuration. As a prolate dual-spin vehicle, they have to be stabilized against their internal energy dissipation effect. Several countries that located in southern hemisphere, has shown interest to use communication satellite. Because...

The Light-Induced Excited Spin-State Trapping (LIESST) process allows tuning the electronic state of spin-crossover materials from low (LS) to high spin (HS) states. photoinduced HS is long-lived, up a characteristic temperature, T(LIESST), above which system relaxes rapidly LS state. We study effect light irradiance on competing → up-conversion and thermal relaxation [Fe(phen)2(NCS)2] system. ...

A criterion for redox voltage tuning (0.96-2.96 V vs. Li(+)/Li) was derived from DFT calculations on quinoneazine and analogues (C/O replacing N). As rationalized through spin-charge distributions and energetic criteria, high-low voltage implying a bridge with delocalized-localized bond nature mainly originates from ring stabilization. Established guidelines serve to propose optimal derivatives.

A spin-crossover solvated compound [Fe(mepy)3tren](PF6)2·C7H8·C2H3N has been prepared and its switching properties have been compared to those reported for the non-solvated solid. The thermal spin transition occurs at 88 K with the opening of a 3.5 K wide hysteresis loop, while a fairly steep transition at 215 K without hysteresis has been previously reported for the non-solvated analogue. This...

Using angle-resolved photoemission, we have mapped the spin density wave phase diagram of Cr(110) thin films grown on W(110) as a function of film thickness, temperature, and hydrogen surface coverage. We find commensurate and incommensurate phases that are separated by nearly continuous transitions. Surface localized electron states play a key role in the observed thin film phase behaviors. Ou...