Empirical modeling of dopability in diamond-like semiconductors

Modeling of the electron field emission process in polycrystalline diamond and diamond-like carbon thin films

Electron field emission has been observed from carbon thin films at relatively low electric fields. These films range from amorphous carbon to polycrystalline diamond films. There are many models that attempt to account for the electron field emission process observed in these films. The initial models that were based on the emission due purely to a negative electron affinity have now been modi...

Correction: Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.

Correction for 'Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4' by Jian-Han Zhang et al., Dalton Trans., 2015, 44, 11212-11222.

Li2HgMS4 (M = Si, Ge, Sn): New Quaternary Diamond-Like Semiconductors for Infrared Laser Frequency Conversion

A new family of quaternary diamond-like semiconductors (DLSs), Li2HgMS4 (M = Si, Ge, Sn), were successfully discovered for the first time. All of them are isostructural and crystallize in the polar space group (Pmn21). Seen from their structures, they exhibit a three-dimensional (3D) framework structure that is composed of countless 2D honeycomb layers stacked along the c axis. An interesting f...

Negative thermal expansion of diamond and zinc-blende semiconductors.

Experimentally it is well known that diamond and zinc-blend semiconductors show an "unusual" (i.e. , negative) thermal expansion at about 100 K. We performed density-functional-theory calculations of thermodynamic potentials (i.e. , total energies and entropies) for perfect crystals, to study the temperature dependence of the lattice parameter. The origin of the negative expansion eff'ect is tr...

Non-Empirical Tuning in DFT: Improvements for Modeling Charge Transport Parameters in Organic Semiconductors