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Relating Material Properties to the Atomic Solid State Energy Scale

Relating Material Properties to the Atomic Solid State Energy Scale

Wednesday, February 12, 2014 at 4:00 pm
Weniger 304
Ram Ravichandran, OSU EECS
The atomic solid state energy (SSE) scale is introduced as a tool for inorganic materials development. The SSE scale is obtained by averaging the electron affinity, EA (for a cation) or ionization potential, IP (for an anion) of each atom from compounds having that specific atom as a constituent. When the EA and IP of 135 compounds are plotted as a function of the band gap (EG), EG is roughly centered about the hydrogen donor / acceptor ionization energy ε(+/-), at an energy of -4.5 eV with respect to the vacuum level. Thus, ε(+/-), or equivalently the standard hydrogen electrode (SHE) energy, functions as an absolute energy reference for establishing the chemical bonding behavior for solid state inorganic compounds. SSE values are estimated for 60 elements from s-, p-, d- and f-blocks of the periodic table. The SSE scale is shown to be related to electronegativity, chemical hardness and iconicity. In addition, semiconductor material properties such as index of refraction, dielectric constant, interface behavior and impurity doping are described within the SSE scale.
Guenter Schneider