First-principles Simulations of a Graphene Based Field-Effect Transistor

We improvise a novel approach to carry out first-principles simulations of graphene-based vertical field effect tunneling transistors that consist of a graphene$|${\it h}-BN$|$graphene multilayer structure. Within the density functional theory framework, we exploit the effective screening medium (ESM) method to properly treat boundary conditions for electrostatic potentials and investigate the effect of gate voltage. The distribution of free carriers and the band structure of both top and bottom graphene layers are calculated self-consistently. The dielectric properties of {\it h}-BN thin films sandwiched between graphene layers are computed layer-by-layer following the theory of microscopic permittivity. We find that the permittivities of BN layers are very close to that of crystalline {\it h}-BN. The effect of interface with graphene on the dielectric properties of {\it h}-BN is weak, according to an analysis on the interface charge redistribution.Comment: 6 pages, 6 figure

Does Silicene on Ag(111) Have a Dirac Cone?

We investigate the currently debated issue of the existence of the Dirac cone in silicene on an Ag(111) surface, using first-principles calculations based on density functional theory to obtain the band structure. By unfolding the band structure in the Brillouin zone of a supercell to that of a primitive cell, followed by projecting onto Ag and silicene subsystems, we demonstrate that the Dirac cone in silicene on Ag(111) is destroyed. Our results clearly indicate that the linear dispersions observed in both angular-resolved photoemission spectroscopy (ARPES) [P. Vogt et al, Phys. Rev. Lett. 108, 155501 (2012)] and scanning tunneling spectroscopy (STS) [L. Chen et al, Phys. Rev. Lett. 109, 056804 (2012)] come from the Ag substrate and not from silicene.Comment: 5 pages, 3 figure

Electron Transport Through Ag-Silicene-Ag Junctions

For several years the electronic structure properties of the novel two-dimensional system silicene have been studied extensively. Electron transport across metal-silicence junctions, however, remains relatively unexplored. To address this issue, we developed and implemented a theoretical framework that utilizes the tight-binding Fisher-Lee relation to span non-equilibrium Green's function (NEGF) techniques, the scattering method, and semiclassical Boltzmann transport theory. Within this hybrid quantum-classical, two-scale framework, we calculated transmission and reflection coefficients of monolayer and bilayer Ag-silicene-Ag junctions using the NEGF method in conjunction with density functional theory; derived and calculated the group velocities; and computed resistance using the semi-classical Boltzmann equation. We found that resistances of these junctions are $\sim${} 0.08 \fom for monolayer silicene junctions and $\sim${} 0.3 \fom for bilayer ones, factors of $\sim$8 and $\sim$2, respectively, smaller than Sharvin resistances estimated via the Landauer formalism.Comment: 5 pages, 4 figure

Prospects for CP & P violation in Λc+\Lambda_{c}^+ decay at STCF

CP violation is an excellent tool for probing flavor dynamics as we learnt first with $K_L \to 2 \pi$ and later also with the weak decays of beauty mesons. LHCb 2019 data have shown CP violation for the first time in $D^0\to K^-K^+$ vs. $D^0\to\pi^-\pi^+$. Searching for CP asymmetries is of great interest in charm quark sector in the Standard Model (SM) or even more beyond it. In charm hadron decays, lots of work had focused on two-body final states, and the measurements of CP asymmetries in three- or four-body final states are rare. Dalitz plots have shown an excellent record for three-body final states, and more results are desired for four-body ones. In this work we study CP asymmetries in the decays $\Lambda^+_c \to p K^-\pi^+\pi^0$/$\Lambda \pi^+\pi^+\pi^-$/$pK_S\pi^+\pi^-$, where the SM gives zero values for the first two channels, while $3.3 \times 10^{-3}$ for the last one due to $K^0 - \bar K^0$ oscillation. We performed a fast Monte Carlo simulation study by using electron-positron annihilation data of 1~$\textrm{ab}^{-1}$ at center-of-mass energy $\sqrt{s}\, =\, 4.64$ GeV. The data is expected to be available by the next generation Super Tau Charm Facility proposed by China and Russia with one year (or even less) data taking operation. The results indicate that a sensitivity at the level of 0.2$\sim$0.5% is accessible for these processes, which would be enough to measure nonzero CP-violating asymmetries as large as 1%.Comment: final version, to appear in PR

Direct Symbol Decoding using GA-SVM in Chaotic Baseband Wireless Communication System

To retrieve the information from the serious distorted received signal is the key challenge of communication signal processing. The chaotic baseband communication promises theoretically to eliminate the inter-symbol interference (ISI), however, it needs complicated calculation, if it is not impossible. In this paper, a genetic algorithm support vector machine (GA-SVM) based symbol detection method is proposed for chaotic baseband wireless communication system (CBWCS), by this way, treating the problem from a different viewpoint, the symbol decoding process is converted to be a binary classification through GA-SVM model. A trained GA-SVM model is used to decode the symbols directly at the receiver, so as to improve the bit error rate (BER) performance of the CBWCS and simplify the symbol detection process by removing the channel identification and the threshold calculation process as compared to that using the calculated threshold to decode symbol in the traditional methods. The simulation results show that the proposed method has better BER performance in both the static and time-varying wireless channels. The experimental results, based on the wireless open-access research platform, indicate that the BER of the proposed GA-SVM based symbol detection approach is superior to the other counterparts under a practical wireless multipath channel.Comment: 31 pages, 16 figure

Electronic resistances of multilayered two-dimensional crystal junctions

We carry out a layer-by-layer investigation to understand electron transport across metal-insulator-metal junctions. Interfacial structures of junctions were studied and characterized using first-principles density functional theory within the generalized gradient approximation. We found that as a function of the number of crystal layers the calculated transmission coefficients of multilayer silicene junctions decay much slower than for BN-based junctions We revisited the semiclassical Boltzmann theory of electronic transport and applied to multilayer silicene and BN-based junctions. The calculated resistance in the high-transmission regime is smaller than that provided by the Landauer formula. As the thickness of the barrier increases, results from the Boltzmann and the Landauer formulae converge. We provide a upper limit in the transmission coefficient below which, the Landauer method becomes valid. Quantitatively, when the transmission coefficient is lower than $\sim 0.05$ per channel, the error introduced by the Landauer formula for calculating the resistance is negligible. In addition, we found that the resistance of a junction is not entirely determined by the averaged transmission, but also by the distribution of the transmission over the first Brillouin zone.Comment: 11 pages, 7 figure

Tunneling Field-Effect Junctions with WS2_2 barrier

Transition metal dichalcogenides (TMDCs), with their two-dimensional structures and sizable bandgaps, are good candidates for barrier materials in tunneling field-effect transistor (TFET) formed from atomic precision vertical stacks of graphene and insulating crystals of a few atomic layers in thickness. We report first-principles study of the electronic properties of the Graphene/WS$_2$/Graphene sandwich structure revealing strong interface effects on dielectric properties and predicting a high ON/OFF ratio with an appropriate WS$_2$ thickness and a suitable range of the gate voltage. Both the band spin-orbit coupling splitting and the dielectric constant of the WS$_2$ layer depend on its thickness when in contact with the graphene electrodes, indicating strong influence from graphene across the interfaces. The dielectric constant is significantly reduced from the bulk WS$_2$ value. The effective barrier height varies with WS$_2$ thickness and can be tuned by a gate voltage. These results are critical for future nanoelectronic device designs.Comment: 18 pages, 5 figure

Autocorrelation Invariance Property of Chaos for Wireless Communication

A new feature of the chaotic signal generated by chaotic shape-forming filter (CSF) is uncovered in this work. We find that, the autocorrelation function (ACF) of the transmitting signal generated by CSF keeps the same as that of the base function of CSF, no matter what information is encoded. We derive the analytical equation to describe the relation between the ACF of the received signal and the wireless channel parameters using the ACF of the transmitted signal as prior knowledge revealed by the finding in this work. This new property can be utilized together with different wireless communication systems to improve the system performance. Specially, to demonstrate the improvement, channel state information (CSI) is identified using the chaotic baseband wireless communication as a paradigm. Two significant benefits by using the new property are 1) the CSI can be identified without the probe information known to the receiver as done in the conventional wireless communication systems, which improves the bandwidth efficiency, especially in the time-varying channel; 2) the correlation operation is insensitive to the channel noise, which improves the identification accuracy as compared to the commonly used methods.Comment: 5 pages,4 figure

Echo State Network based Symbol Detection in Chaotic Baseband Wireless Communication

In some Internet of Things (IoT) applications, multi-path propagation is a main constraint of communication channel. Recently, the chaotic baseband wireless communication system (CBWCS) is promising to eliminate the inter-symbol interference (ISI) caused by multipath propagation. However, the current technique is only capable of removing the partial effect of ISI, due to only past decoded bits are available for the suboptimal decoding threshold calculation. However, the future transmitting bits also contribute to the threshold. The unavailable future information bits needed by the optimal decoding threshold are an obstacle to further improve the bit error rate (BER) performance. Different from the previous method using echo state network (ESN) to predict one future information bit, the proposed method in this paper predicts the optimal threshold directly using ESN. The proposed ESN-based threshold prediction method simplifies the symbol decoding operation by removing the threshold calculation from the transmitting symbols and channel information, which achieves better BER performance as compared to the previous method. The reason for this superior result lies in two folds, first, the proposed ESN is capable of using more future symbols information conveyed by the ESN input to get more accurate threshold; second, the proposed method here does not need to estimate the channel information using Least Square method, which avoids the extra error caused by inaccurate channel information estimation. By this way, the calculation complexity is decreased as compared to the previous method. Simulation results and experiment based on a wireless open-access research platform under a practical wireless channel, show the effectiveness and superiority of the proposed method.Comment: 12 pages, 15 figure

DFT+DMFT calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO and NiO

We report complex band structure (CBS) calculations for the four late transition metal monoxides, MnO, FeO, CoO and NiO, in their paramagnetic phase. The CBS is obtained from density functional theory plus dynamical mean field theory (DMFT) calculations to take into account correlation effects. The so-called $\beta$ parameters, governing the exponential decay of the transmission probability in the non-resonant tunneling regime of these oxides, are extracted from the CBS. Different model constructions are examined in the DMFT part of the calculation. The calculated $\beta$ parameters provide theoretical estimation for the decay length in the evanescent channel, which would be useful for tunnel junction applications of these materials.Comment: 16 pages, 13 figure