Large Seebeck effect in the electron-doped FeAs$_2$ driven by quasi one   dimensional pudding-mold type band
  We investigate the thermoelectric propeties of the electron-doped FeAs$_2$ both experimentally and theoretically. Electrons are doped by partially substituting Se for As, which leads to a metallic behavior in the resistivity. A Seebeck coefficient of about $-$200 $\mu$V/K is reached at 300 K for 1% doping, and about $-$120 $\mu$V/K even at 5% doping. The origin of this large Seebeck coefficient despite the metallic conductivity is analyzed from a band structure point of view. The first-principles band calculation reveals the presence of a pudding-mold type band just above the band gap, somewhat similar to Na$_x$CoO$_2$, but with a quasi-one-dimensional nature. We calculate the Seebeck coefficient using a tightbinding model that correctly reproduces this band structure, and this gives results close to the experimental observations. The origin of this peculiar band shape is also discussed. 
Hidetomo Usui, Kazuhiko Kuroki, Seiya Nakano, Kazutaka Kudo, and   Minoru Nohara
cond-mat.mtrl-sci cond-mat.str-el