Origin of giant photocontraction in obliquely deposited amorphous Ge_xSe_{1-x} thin- films and the intermediate phase

Obliquely deposited amorphous Ge_xSe{1-x} thin-films at several compositions in the 0.15 < x < 0.333 range, and at several obliqueness angles in the 0 < alpha < 80 range at each x were evaporated on Si and glass substrates. Here alpha designates the angle between film normal and direction of vapor transport. Raman scattering, ir reflectance and optical absorption measurements were undertaken to characterize the vibrational density of states and optical band gaps. Edge views of films in SEM confirm the columnar structure of obliquely (alpha = 80) deposited films. Films, mounted in a cold stage flushed with N2 gas, were irradiated to UV radiation from a Hg-Xe arc lamp, an

Direct correlation between the 31P MAS NMR response and the electronic structure of some Transition-Metal Phosphides

A series of binary transition metal phosphides (Ni3P, Ni12P5, Ni2P, Ni5P4, NiP, NiP2, FeP, FeP2, FeP4, VP2, CoP) were investigated by solid state 31P MAS NMR, leading to rather different lineshapes, shifts, relaxation times, and temperature-dependences. The electronic structures of these compounds were computed using various DFT codes, based either on plane waves PAW potentials (VASP), or on all-electron basis sets in the FPLAPW formalism (Wien2K). Depending on the electronic features of the phosphide, self-interaction corrected formalisms (DFT+U or PBE0 hybrid functional) were also used to reach a better description of the electronic ground state and to establish a correlation with the shape and the nature of the NMR signals. As a result of the analysis, the main categories are diamagnetic compounds (FeP4, NiP2) and metallic ones, either real (VP2) or with some electronic localisation in band tails (Ni12P5, Ni2P, Ni5P4, NiP), or with spin-polarized conduction bands (CoP, FeP). FeP2 appears somewhat ambiguous, both based on the various computational results and on the NMR characteristics. Besides, FeP4 is the only compound for which very clear J couplings resulting from P-P bonds were observed