A four-point surface conductivity probe suitable for in situ ultrahigh vacuum conductivity measurements Rev.Local probe methods can be used to measure nanoscale surface conductivity, but some techniques including nanoscale four point probe rely on at least two of the probes forming the same low resistivity non-rectifying contact to the sample. Here, the role of probe shank oxide has been examined by carrying out contact and non-contact I V measurements on GaAs when the probe oxide has been controllably reduced, both experimentally and in simulation. In contact, the barrier height is pinned but the barrier shape changes with probe shank oxide dimensions. In non-contact measurements, the oxide modifies the electrostatic interaction inducing a quantum dot that alters the tunneling behavior. For both, the contact resistance change is dependent on polarity, which violates the assumption required for four point probe to remove probe contact resistance from the measured conductivity. This has implications for all nanoscale surface probe measurements and macroscopic four point probe, both in air and vacuum, where the role of probe oxide contamination is not well understood. V C 2015 AIP Publishing LLC. [http://dx.

In this work, electron densities around dopants in Si and GaAs have been calculated using DFT calculations. These extracted densities have been used to describe dopants in an in-house Non-Equilibrium Green functions (NEGF) device simulator. The transfer characteristics of nanowire gate all around field effect transistor have been calculated using density functional theory (DFT) electron densities. These transport calculations were compared with those using a point charge model of the dopant. The dopants are located in the middle of the channel of the device. Specifically, DFT calculations of a 512 atom Si supercell with a single impurity atom have been carried out, both phosphorous and boron atoms have been used as donor and acceptor impurities respectively. The calculations were repeated on a gallium arsenide supercell, where the silicon atom substituted gallium and arsenide to act as donor and acceptor respectively. We found that for donors and acceptors, the DFT charge distribution extend similarly in both materials. In addition, the relaxed structure produces a 50% larger spread of electronic charge as compared with unrelaxed Si and GaAs. The extracted current voltage characteristics of the devices are altered significantly using the charge density obtained by DFT. At 0.7 V the current in Si is 20% larger using the DFT charge density compared to the point charge model for donors. Whereas the current using the point charge model in GaAs is 2.5 times larger than the distributed charge. Devices exhibit substantial tunnelling currents for donors and acceptors irrespectively of the model of the dopant considered. In GaAs, this was 76% using a point charge and 78% using the distributed charge when using a donor; 61% and 68% in Si respectively. The tunnelling current using acceptors for Si was 100% and 99% using GaAs for both models.

We present a first-principles study of the conductance of attached to Au(111) electrodes. Cellular levels of 8-oxoG have been found in larger concentrations in cancer patients. The current through the structure was calculated using a DFT-NEGF formalism. We have compared flat and pyramidal electrode geometries and show that there is a measurable difference between the I-V characteristics of the pristine molecule and the 8-oxoG. For a flat electrode geometry, 8-oxoG produces a 2.57 (18.3) times increase in current than the corresponding counterpart at 3 V with a bond separation of 1.2 Å (2.4 Å). This can be attributed to molecular orbital energies shifting at the junction. Overall the flat geometry produces larger currents. We have also investigated the sensitivity of the current to the electrode molecule separation. For the flat geometry, the current dropped approximately 80% (97%) for 8-oxoG (pristine Guanine) with the doubling of the electrode separation.