In contrast to the static operations of conventional semiconductor devices, the dynamic conformational freedom in molecular devices opens up the possibility of using molecules as new types of devices such as a molecular conformational switch or for molecular data storage. Bistable molecules, with e.g. two stable cis and trans isomeric configurations, could provide, once clamped between two electrodes, a switching phenomenon in the nonequilibrium current response. Here, we model molecular switch junctions formed at silicon contacts and demonstrate the potential of tunable molecular switches in electrode/molecule/electrode configurations. Using the non equilibrium Green function approach implemented with the density-functional-based tight-binding theory, a series of properties such as electron transmissions, I-V characteristics in the different isomer-conformations, and potential energy surfaces as a function of the reaction coordinates along the trans to cis transition were calculated. Furthermore, in order to investigate stability of molecular switches in ambient conditions, molecular dynamics (MD) simulations at room temperature were performed and time- dependent fluctuations of the conductance along the MD pathways were calculated. Our numerical results show that the transmission spectra of the cis isomers are more conductive than trans counterparts inside the bias window for all two model molecules. The current-voltage characteristics consequently show the same trends. Additionally, the calculations of time-dependent transmission fluctuations along the MD pathways have shown that the transmission in cis isomers is always significantly larger than that of trans counterparts showing that molecular switches can be expected to work as robust molecular switching components.
The proper understanding of semiconductor devices begins at the metal-semiconductor interface. The metal/semiconductor interface itself can also be an important device, as Schottky junctions often forms when the doping in the semiconductors is low. Here, we extend the analysis of metal-silicon Schottky junctions by using graphene, an atomically thin semimetal. We show that a fundamentally new transport model is needed to describe the graphene-silicon Schottky junction. While the current-voltage behavior follows the celebrated ideal diode behavior, the details of the diode characteristics is be…
Junctionless transistors made of silicon have previously been demonstrated experimentally and by simulations. Junctionless devices do not require fabricating an abrupt source-drain junction and thus can be easier to implement in aggressive geometries. In this paper, we explore a similar architecture for aggressively scaled devices with the channel consisting of doped carbon nanotubes (CNTs). Gate all around (GAA) field effect transistor (FET) structures are investigated for n- and p-type doping. Current-voltage characteristics and sub-threshold characteristics for a CNTbased junctionless FET i…
Nanoscale silicon p(+)-n junctions with very high concentration of boron, 5 10^21 cm-3, are found to demonstrate interesting optical properties. Emission band dominated in near-infrared electroluminescence (EL) spectra possesses high degree of the linear polarization along preferred crystallographic axis which can be controlled by the lateral voltage applied in the plane of the p(+)-n junction. Such behavior together with the temperature dependence of the EL intensity is attributed to the presence of the self-compensating dipole boron centers, B(+)-B(-), with negative correlation energy which …
Contact resistance and thermal degradation of metal-silicon contacts are challenges in nanoscale CMOS as well as in power device applications. Titanium silicide (TiSi) contacts are commonly used metal-silicon contacts, but are known to diffuse into the active region under high current stress. In this paper we show that a graphenic carbon (C) contact deposited on n-type silicon (C-Si) by CVD, has the same low Schottky barrier height of 0.45 eV as TiSi, but a much improved reliability against high current stress. The C-Si contact is over 100 million times more stable against high current stress …
A requirement for quantum information processors is the in-situ tunability of the tunnel rates and the exchange interaction energy within the device. The large energy level separation for atom qubits in silicon is well suited for qubit operation but limits device tunability using in-plane gate architectures, requiring vertically separated top-gates to control tunnelling within the device. In this paper we address control of the simplest tunnelling device in Si:P, the tunnel junction. Here we demonstrate that we can tune its conductance by using a vertically separated top-gate aligned with +-5n…
Energy efficiency of optoelectronic switches based on high-voltage silicon photodiodes, phototransistors or photothyristors and triggered-on by picosecond laser pulses has been studied for the first time. For given values of resistive load, amplitude and duration $t_R$ of voltage pulses it is shown that there exist optimal sets of values for the device area, energy and absorption coefficient for triggering illumination, which provide the maximal general efficiency of the switch about 0.92. All three types of switches have almost identical efficiencies at short $t_R$, and in case of long $t_R$ …
Wave effects of phonons can give rise to controllability of heat conduction beyond that by particle scattering at surfaces and interfaces. In this work, we propose a new class of 3D nanostructure: a silicon-nanowire-cage (SiNWC) structure consisting of silicon nanowires (SiNWs) connected by nano-cross-junctions (NCJs). We perform equilibrium molecular dynamics (MD) simulations, and find an ultralow value of thermal conductivity of SiNWC, 0.173 Wm-1K-1, which is one order lower than that of SiNWs. By further modal analysis and atomistic Green's function calculations, we identify that the large …
A Comprehensive Study of Charge-Carrier Mobility in Double Lateral-Gate Silicon Junctionless Transistors
Laye Rooyan Part, Isfahan Science and Technology Town（拉耶鲁扬部分，伊斯法罕科技城）；Department of Physics, Isfahan University of Technology（伊斯法罕理工大学物理系）；Institute of Microengineering and Nanoelectronics, Universiti Kebangsaan Malaysia（马来西亚国立大学微工程与纳米电子研究所）；Department of Electrical and Computer Engineering, University of Texas at Dallas（德克萨斯大学达拉斯分校电气与计算机工程系）
We propose theoretically a thermal switch operating by the magnetic-flux controlled diffraction of phase-coherent heat currents in a thermally biased Josephson junction based on a two-dimensional topological insulator. For short junctions, the system shows a sharp switching behavior while for long junctions the switching is smooth. Physically, the switching arises from the Doppler shift of the superconducting condensate due to screening currents induced by a magnetic flux. We suggest a possible experimental realization that exhibits a relative temperature change of 40\% between the on and off …
We have realised laser-doped all-silicon superconducting (S)/ normal metal (N) bilayers of tunable thickness and dopant concentration. We observed a strong reduction of the bilayers critical temperature when increasing the normal metal thickness, a signature of the highly transparent S/N interface associated to the epitaxial sharp laser doping profile. We extracted the interface resistance by fitting with the linearised Usadel equations, demonstrating a reduction of one order of magnitude from previous superconductor/doped Si interfaces. In this well controlled crystalline system we exploited …
The nature of the conducting filaments in many resistive switching systems has been elusive. Through in situ transmission electron microscopy, we image the real-time formation and evolution of the filament in a silicon oxide resistive switch. The electroforming process is revealed to involve the local enrichment of silicon from the silicon oxide matrix. Semi-metallic silicon nanocrystals with structural variations from the conventional diamond cubic form of silicon are observed, which likely accounts for the conduction in the filament. The growth and shrinkage of the silicon nanocrystals in re…
Numerical simulation of switching process of high-voltage silicon photodiodes, phototransistors and photothyristors those triggered-on homogeneously over the area by picosecond laser pulses, has been performed for the first time. The analysis of results allowed to obtain "empirical" relationship between key parameters of switches (energy of control pulses, a radiation absorption coefficient, the area of structures) and parameters those characterizing the switching process in a circuit with the resistive load. For some of these relationship the approximate analytical formulas which seem to be q…
We report here the first realization of top-down silicon nanowires (SiNW) transduced by both junction-less field effect transistor (FET) and the piezoresistive (PZR) effect. The suspended SiNWs are among the smallest top-down SiNWs reported to date, featuring widths down to ~20nm. This has been achieved thanks to a 200mm-wafer-scale, VLSI process fully amenable to monolithic CMOS co-integration. Thanks to the very small dimensions, the conductance of the silicon nanowire can be controlled by a nearby electrostatic gate. Both the junction-less FET and the previously demonstrated PZR transductio…
Searching of optimal parameters of nanoelectronic devices is a primal problem in their modeling. We solve this problem on example of the electron ballistic switch in quantum network model. For this purpose, we use a computing scheme in which closed channels are taking into account. It allows calculating correctly a scattering matrix of the switch and, consequently, the electric currents flowing through it. Without losing generality, we consider model of two-junction switch at room temperature. Its character is localization of the controlling electric field in the domain before branching. We op…
In ferroelectric materials, spontaneous symmetry breaking leads to a switchable electric polarization, which offers significant promise for nonvolatile memories. In particular, ferroelectric tunnel junctions (FTJs) have emerged as a new resistive switching memory which exploit polarization-dependent tunnel current across a thin ferroelectric barrier. Here we demonstrate FTJs with CMOS-compatible Zr-doped HfO$_2$ (Zr:HfO$_2$) ferroelectric barriers of just 1 nm thickness, grown by atomic layer deposition on silicon. These 1 nm Zr:HfO$_2$ tunnel junctions exhibit large polarization-driven electr…
A novel mechanism for switching a molecular junction based on a proton transfer reaction triggered by an external electrostatic field is proposed. As a specific example to demonstrate the feasibility of the mechanism, the tautomers [2,5-(4-hydroxypyridine)] and {2,5-[4(1H)-pyridone]} are considered. Employing a combination of first-principles electronic structure calculations and Landauer transport theory, we show that both tautomers exhibit very different conductance properties and realize the "on" and "off" states of a molecular switch. Moreover, we provide a proof of principle that both for…
Current-voltage characteristics of H2-Au molecular junctions exhibit intriguing steps around a characteristic voltage of 40 mV. Surprisingly, we find that a hysteresis is connected to these steps with a typical time scale > 10 ms. This time constant scales linearly with the power dissipated in the junction beyond an ofset power P_s = IV_s. We propose that the hysteresis is related to vibrational heating of both the molecule in the junction and a set of surrounding hydrogen molecules. Remarkably, we can engineer our junctions such that the hysteresis' characteristic time becomes >days. We demon…
We report the synthesis and the electrical properties of fullerene-based molecular junctions on silicon substrate in which the highly π-conjugated molecule C60 (πquantum well) is isolated from the electrodes by alkyl chains (σtunnel barriers). Initially, the Si/SiO2/\sigmaC60 architecture was prepared either by sequential synthesis (3 different routes) or by direct grafting of the presynthesized C60-σ-Si(OEt)3 molecule. We described the chemical synthesis of these routes and the physico-chemical properties of the molecular monolayers. Then, the second σtunnel barrier was added on the Si/SiO2/σ…
Conductance of silicon nanotube junctions in high magnetic fields
University of Warsaw（华沙大学）；CIC nanoGUNE（nanoGUNE研究中心）；Autonomous University of Yucatan（尤卡坦自治大学）；Simune Atomistics（Simune原子学公司）；Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST（加泰罗尼亚纳米科学和纳米技术研究所（ICN2），西班牙国家研究委员会和巴塞罗那独立系统研究所）；Warsaw University of Technology（华沙理工大学）；BCMaterials, Basque Center for Materials, Applications and Nanostructures, UPV/EHU Science Park（巴斯克材料、应用和纳米结构中心，巴斯克国立埃斯托大学科学园）；Ikerbasque, Basque Foundation for Science（伊克尔巴斯科，巴斯克科学基金会）
Understanding phonon transport mechanisms in nanostructures is of great importance for delicately tailoring thermal properties. Combining phonon particle and wave effects through different strategies, previous studies have obtained ultra-low thermal conductivity in nanostructures. However, phonon particle and wave effects are coupled together, that is their individual contributions to phonon transport cannot be figured out. Here, we present how to quantify the particle and wave effects on phonon transport by combining Monte Carlo and atomic green function methods. We apply it to 1D silicon nan…
We propose and analyze a mesoscopic Josephson junction consisting of two ferromagnetic insulator-superconductors (FI-Ss) coupled through a normal metal (N) layer. The Josephson current of the junction is non-trivially affected by the spin-splitting field induced by the FIs in the two superconductors. In particular, it shows sizeable enhancement by increasing the amplitude of the exchange field ($h_{ex}$) and displays a switchable current-phase relation which depends on the relative orientation of $h_{ex}$ in the FIs. In a realistic EuS/Al-based setup this junction can be exploited as a high-re…
Solid state ionic conductors are good candidates for the next generation of nonvolatile computer memory elements. Such devices have to show reproducible resistance switching at reasonable voltage and current values even if scaled down to the nanometer sizes. Here we study the switching characteristics of nanoscale junctions created between a tungsten tip and a silver film covered by a thin ionic conductor layer. Atomic-sized junctions show spectacular current induced switching characteristics, but both the magnitude of the switching voltage and the direction of the switching vary randomly for …
There exists a significant challenge in developing efficient magnetic tunnel junctions with low write currents for non-volatile memory devices. With the aim of analysing potential materials for efficient current-operated magnetic junctions we have developed a multi-scale methodology combining the ab initio calculations of spin-transfer torque with large-scale time-dependent simulations using atomistic spin dynamics. In this work we introduce our multi-scale approach including a discussion on a number of possible mapping schemes the ab initio spin torques into the spin dynamics. We demonstrate …
We explore the thermoelectric properties of gold atomic chains bridging gold electrodes by means of \textit{ab initio} and semi-empirical calculations, and heuristic reasoning. We predict the thermoelectric voltage induced by a temperature difference across such junctions to oscillate, repeatedly changing sign, as a function of the number of atoms $N$ making up the atomic chain. We also predict the amplitude of the oscillations to be proportional to $N$ for long atomic chains. Further we predict the thermoelectric voltage to change sign, in some cases, if the junction is stretched without chan…
We present the optoelectronic characterization of two graphene/silicon Schottky junctions, fabricated by transferring CVD-graphene on flat and nanotip-patterned n-Si substrates, respectively. We demonstrate record photo responsivity, exceeding 2.5 A/W under white light, which we attribute to the contribution of charges photogenerated in the surrounding region of the flat junction or to the internal gain by impact ionization caused by the enhanced field on the nanotips.
Graphene-silicon (GS) Schottky junctions have been demonstrated as an efficient architecture for photodetection. However, the response speed of such devices for free space light detection has so far been limited to 10's-100's of kHz for wavelength $λ>$ 500nm. Here, we demonstrate graphene-silicon Schottky junction photodetectors fabricated on a silicon-on-insulator substrate (SOI) with response speeds approaching 1GHz, attributed to the reduction of the photo-active silicon layer thickness to 10$μ$m and with it a suppression of speed-limiting diffusion currents. Graphene-silicon-on-insulator p…
Perpendicular magnetic tunnel junctions are one of the building blocks for spintronic memories, which allow fast nonvolatile data access, offering substantial potentials to revolutionize the mainstream computing architecture. However, conventional switching mechanisms of such devices are fundamentally hindered by spin polarized currents4, either spin transfer torque or spin orbit torque with spin precession time limitation and excessive power dissipation. These physical constraints significantly stimulate the advancement of modern spintronics. Here, we report an optomagnetic tunnel junction us…
Molecular electronics is a fascinating area of research with the ability to tune device properties by a chemical tailoring of organic molecules. However, molecular electronics devices often suffer from dispersion and lack of reproducibility of their electrical performances. Here, we show that water molecules introduced during the fabrication process or coming from the environment can strongly modify the electrical transport properties of molecular junctions made on hydrogen-terminated silicon. We report an increase in conductance by up to three orders of magnitude, as well as an induced asymme…
We investigate from first-principles the change in transport properties of a two-dimensional azobenzene monolayer sandwiched between two Au electrodes that undergoes molecular switching. We focus on transport differences between a chemisorbed and physisorbed top monolayer-electrode contact. The conductance of the monolayer junction with a chemisorbed top contact is higher in trans configuration, in agreement with the previous theoretical predictions of one-dimensional single molecule junctions. However, with a physisorbed top contact, the "ON" state with larger conductance is associated with t…
The design of efficient graphene-silicon (GSi) Schottky junction photodetectors requires detailed understanding of the spatial origin of the photoresponse. Scanning-photocurrent-microscopy (SPM) studies have been carried out in the visible wavelengths regions only, in which the response due to silicon is dominant. Here we present comparative SPM studies in the visible ($λ$ = 633nm) and infrared ($λ$ = 1550nm) wavelength regions for a number of GSi Schottky junction photodetector architectures, revealing the photoresponse mechanisms for silicon and graphene dominated responses, respectively, an…
The atomic structure and elastic properties of Y-silicon nanowire junctions of fork- and bough-types were theoretically studied and effective Young modulus were calculated using the Tersoff interatomic potential. In the final stages of bending, new bonds between different parts of the Y-shaped wires are formed. It was found that the stiffness of the nanowires considered can be compared with the stiffness of carbon nanotube Y-junctions.
We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have devised scaling laws for transmission and reflection spectra, which allow us to predict the thermal resistance of bulk-nanowire interfaces with larger cross sections than those achievable with atomistic simulations. Our results indicate the characteristic size beyond which atomistic systems can be treated accurately by mesoscopic theories.
Current-induced spin-transfer torques (STT) and spin-orbit torques (SOT) enable the electrical switching of magnetic tunnel junctions (MTJs) in nonvolatile magnetic random access memories. In order to develop faster memory devices, an improvement of the timescales underlying the current driven magnetization dynamics is required. Here we report all-electrical time-resolved measurements of magnetization reversal driven by SOT in a three-terminal MTJ device. Single-shot measurements of the MTJ resistance during current injection reveal that SOT switching involves a stochastic two-step process con…
Spin-transfer magnetic random access memory is of significant interest for cryogenic applications where a persistent, fast, low-energy consumption and high device density is needed. Here we report the low-temperature nanosecond duration spin-transfer switching characteristics of perpendicular magnetic tunnel junction (pMTJ) nanopillar devices (40 to 60 nm in diameter) and contrast them to their room temperature properties. Interestingly, at fixed pulse voltage overdrive the characteristic switching time decreases with temperature, in contrast to macrospin model predictions, with the largest re…
We show that an $n-n^{-}-n$ junction in 2D semiconductors can flexibly realize two basic valleytronic functions, i.e. valley filter and valley source, with gate controlled switchability between the two. Upon carrier flux passing through the junction, the valley filter and valley source functions are enabled respectively by intra- and inter-valley scatterings, and the two functions dominate respectively at small and large band-offset between the $n$ and $n^{-}$ regions. It can be generally shown that, the valley filter effect has an angular dependent polarity and vanishes under angular integrat…
We time-resolve the spin-transfer-torque-induced switching in perpendicularly magnetized tunnel junctions of diameters from 50 to 250 nm in the thermally activated regime. When the field and the spin-torque concur to favor the P to AP transition, the reversal yields monotonic resistance ramps that can be interpreted as a domain wall propagation through the device at velocities of 17 to 30 nm/ns; smaller cells switch hence faster. When the field hinders the P to AP transition, the switching is preceded by repetitive switching attempts, during which the resistance transiently increases until suc…
Polyoxometalates (POMs) are unconventional electro-active molecules with a great potential for applications in molecular memories, providing efficient processing steps onto electrodes are available. The synthesis of the organic-inorganic polyoxometalate hybrids [PM$_{11}$O$_{39}$(Sn(C$_6$H$_4$)C$\equiv$C(C$_6$H$_4$)N$_2$)]$^{3-}$ (M = Mo, W) endowed with a remote diazonium function is reported together with their covalent immobilization onto hydrogenated n-Si(100) substrates. Electron transport measurements through the resulting densely-packed monolayers contacted with a mercury drop as a top …
Thin electrodes of magnetic tunnel junctions can show superparamagnetism at surprisingly low temperature. We analysed their thermally induced switching for varying temperature, magnetic and electric field. Although the dwell times follow an Arrhenius law, they are orders of magnitude too small compared to a model of single domain activation. Including entropic effects removes this inconsistency and leads to a magnetic activation volume much smaller than that of the electrode. Comparing data for varying barrier thickness then allows to separate the impact of Zeman energy, spin-transfer-torque a…
Control of magnetism without using magnetic fields enables large-scale integration of spintronic devices for memory, computation and communication in the beyond-CMOS era. Mechanisms including spin torque transfer, spin Hall effect, and electric field or strain assisted switching have been implemented to switch magnetization in various spintronic devices. Their operation speed, however, is fundamentally limited by the spin precession time to be longer than 10-100 picoseconds. Overcoming such a speed constraint is critical for the prospective development of spintronics. Here we report the demons…
We demonstrate the fabrication of a single electron transistor device based on a single ultra-small silicon quantum dot connected to a gold break junction with a nanometer scale separation. The gold break junction is created through a controllable electromigration process and the individual silicon quantum dot in the junction is determined to be a Si_170 cluster. Differential conductance as a function of the bias and gate voltage clearly shows the Coulomb diamond which confirms that the transport is dominated by a single silicon quantum dot. It is found that the charging energy can be as large…
