In this review we highlight recent theoretical and experimental work on sublattice asymmetric doping of impurities in graphene, with a focus on substitutional nitrogen dopants. It is well known that one current limitation of graphene in regards to its use in electronics is that in its ordinary state it exhibits no band gap. By doping one of its two sublattices preferentially it is possible to n...

We present a comprehensive theoretical approach to determine concentrations of dopant impurities in semiconductors. The formalism is applied to the problem of acceptor doping in ZnSe. Formation energies and concentrations of impurities and native defects are expressed as a function of chemical potentials, for which experimentally accessible ranges are calculated. We show that limitations in the...

Local structures around Mn in In12xMnxAs films grown by molecular-beam epitaxy have been studied by using Mn K-edge extended x-ray-absorption fine-structure ~EXAFS! technique. Substitution of Mn atoms for the In sites is found in samples either grown at low substrate temperatures ~near 200 °C! or with a low Mn concentration ~about 1 at. %!. This result represents a significant extension of an e...

Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer delta doping of interstitial Mn (Mn(int)) are half-metallic. For Mn(int) concentrations of 1/2 or 1 layer, the states induced in the band gap of delta-doped heterostructures still display high spin polarization, about 85% and 60%, respectively. The proposed hetero...

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We present the results of a computational study of ZnO in the presence of Co and Mn substitutional impurities. The goal of our work is to identify potential ferromagnetic ground states within the (Zn,Co)O or (Zn,Mn)O material systems that are also good candidates for piezoelectricity. We find that, in contrast to previous results, robust ferromagnetism is not obtained by substitution of Co or M...

The geometrically frustrated triangular antiferromagnet Gadolinium Gallium Garnet (Gd3Ga5O12 or GGG) exhibits a rich mix of short-range order and isolated quantum states. We investigate the effects of up to 1% neodymium substitution for gallium on the ac magnetic response at temperatures below 1 K in both the linear and nonlinear regimes. Substitutional disorder actually drives the system towar...

Cation substitutional doping is an effective approach to modifying the electronic and thermal transports in Bi₂Te₃-based thermoelectric alloys. Here we present a comprehensive analysis of the electrical and thermal conductivities of polycrystalline Pb-doped p-type bulk Bi0.48Sb1.52Te₃. Pb doping significantly increased the electrical conductivity up to ~2700 S/cm at x = 0.02 in Bi0.48-xPbxSb1.5...