A computational approach for investigating Coulomb interaction using Wigner-Poisson coupling.

Entangled quantum particles, in which operating on one particle instantaneously influences the state of the entangled particle, are attractive options for carrying quantum information at the nanoscale. However, fully-describing entanglement in traditional time-dependent quantum transport simulation approaches requires significant computational effort, bordering on being prohibitive. Considering electrons, one approach to analyzing their entanglement is through modeling the Coulomb interaction via the Wigner formalism. In this work, we reduce the computational complexity of the time evolution of two interacting electrons by resorting to reasonable approximations. In particular, we replace the Wigner potential of the electron-electron interaction by a local electrostatic field, which is introduced through the spectral decomposition of the potential. It is demonstrated that for some particular configurations of an electron-electron system, the introduced approximations are feasible. Purity, identified as the maximal coherence for a quantum state, is also analyzed and its corresponding analysis demonstrates that the entanglement due to the Coulomb interaction is well accounted for by the introduced local approximation.

Complex Systems in Phase Space.

The continued reduction of semiconductor device feature sizes towards the single-digit nanometer regime involves a variety of quantum effects. Modeling quantum effects in phase space in terms of the Wigner transport equation has evolved to be a very effective approach to describe such scaled down complex systems, accounting from full quantum processes to dissipation dominated transport regimes including transients. Here, we discuss the challanges, myths, and opportunities that arise in the study of these complex systems, and particularly the advantages of using phase space notions. The development of particle-based techniques for solving the transport equation and obtaining the Wigner function has led to efficient simulation approaches that couple well to the corresponding classical dynamics. One particular advantage is the ability to clearly illuminate the entanglement that can arise in the quantum system, thus allowing the direct observation of many quantum phenomena.

Improved Sensing Capability of Integrated Semiconducting Metal Oxide Gas Sensor Devices.

Semiconducting metal oxide (SMO) gas sensors were designed, fabricated, and characterized in terms of their sensing capability and the thermo-mechanical behavior of the micro-hotplate. The sensors demonstrate high sensitivity at low concentrations of volatile organic compounds (VOCs) at a low power consumption of 10.5 mW. In addition, the sensors realize fast response and recovery times of 20 s and 2.3 min, respectively. To further improve the baseline stability and sensing response characteristics at low power consumption, a novel sensor is conceived of and proposed. Tantalum aluminum (TaAl) is used as a microheater, whereas Pt-doped SnO2 is used as a thin film sensing layer. Both layers were deposited on top of a porous silicon nitride membrane. In this paper, two designs are characterized by simulations and experimental measurements, and the results are comparatively reported. Simultaneously, the impact of a heat pulsing mode and rubber smartphone cases on the sensing performance of the gas sensor are highlighted.

ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide Oxidation.

We analyze the early stage of the highly anisotropic silicon carbide oxidation behavior with reactive force field molecular dynamics simulations. The oxidation of a-, C,- m-, and Si-crystallographic faces is studied at typical industry-focused temperatures in the range from 900 to 1200 °C based on the time evolution of the oxidation mechanism. The oxide thicknesses and the growth rates are obtained from these simulation results. In addition, an investigation of the silicon and carbon emission is performed with respect to various orientations in order to support further development of macroscopic physical models that aim to predict initial silicon carbide oxidation.

Performance and stress analysis of metal oxide films for CMOS-integrated gas sensors.

The integration of gas sensor components into smart phones, tablets and wrist watches will revolutionize the environmental health and safety industry by providing individuals the ability to detect harmful chemicals and pollutants in the environment using always-on hand-held or wearable devices. Metal oxide gas sensors rely on changes in their electrical conductance due to the interaction of the oxide with a surrounding gas. These sensors have been extensively studied in the hopes that they will provide full gas sensing functionality with CMOS integrability. The performance of several metal oxide materials, such as tin oxide (SnO2), zinc oxide (ZnO), indium oxide (In2O3) and indium-tin-oxide (ITO), are studied for the detection of various harmful or toxic cases. Due to the need for these films to be heated to temperatures between 250°C and 550°C during operation in order to increase their sensing functionality, a considerable degradation of the film can result. The stress generation during thin film deposition and the thermo-mechanical stress that arises during post-deposition cooling is analyzed through simulations. A tin oxide thin film is deposited using the efficient and economical spray pyrolysis technique, which involves three steps: the atomization of the precursor solution, the transport of the aerosol droplets towards the wafer and the decomposition of the precursor at or near the substrate resulting in film growth. The details of this technique and a simulation methodology are presented. The dependence of the deposition technique on the sensor performance is also discussed.

Advanced Modeling and Simulation of Multilayer Spin-Transfer Torque Magnetoresistive Random Access Memory with Interface Exchange Coupling.

In advancing the study of magnetization dynamics in STT-MRAM devices, we employ the spin drift-diffusion model to address the back-hopping effect. This issue manifests as unwanted switching either in the composite free layer or in the reference layer in synthetic antiferromagnets-a challenge that becomes more pronounced with device miniaturization. Although this miniaturization aims to enhance memory density, it inadvertently compromises data integrity. Parallel to this examination, our investigation of the interface exchange coupling within multilayer structures unveils critical insights into the efficacy and dependability of spintronic devices. We particularly scrutinize how exchange coupling, mediated by non-magnetic layers, influences the magnetic interplay between adjacent ferromagnetic layers, thereby affecting their magnetic stability and domain wall movements. This investigation is crucial for understanding the switching behavior in multi-layered structures. Our integrated methodology, which uses both charge and spin currents, demonstrates a comprehensive understanding of MRAM dynamics. It emphasizes the strategic optimization of exchange coupling to improve the performance of multi-layered spintronic devices. Such enhancements are anticipated to encourage improvements in data retention and the write/read speeds of memory devices. This research, thus, marks a significant leap forward in the refinement of high-capacity, high-performance memory technologies.

A Theoretical Study of Armchair Antimonene Nanoribbons in the Presence of Uniaxial Strain Based on First-Principles Calculations.

The optimized geometry and also the electronic and transport properties of passivated edge armchair antimonene nanoribbons (ASbNRs) are studied using ab initio calculations. Due to quantum confinement, the size of the bandgap can be modulated from 1.2 eV to 2.4 eV (indirect), when the width is reduced from 5 nm to 1 nm, respectively. This study focuses on nanoribbons with a width of 5 nm (5-ASbNR) due to its higher potential for fabrication and an acceptable bandgap for electronic applications. Applying uniaxial compressive and tensile strain results in a reduction of the bandgap of the 5-ASbNR film. The indirect to direct bandgap transition was observed, when introducing a tensile strain of more than +4%. Moreover, when a compressive strain above 9% is introduced, semi-metallic behavior can be observed. By applying compressive (tensile) strain, the hole (electron) effective mass is reduced, thereby increasing the mobility of charge carriers. The study demonstrates that the carrier mobility of ASbNR-based nanoelectronic devices can be modulated by applying tensile or compressive strain on the ribbons.

A Comprehensive Study of Temperature and Its Effects in SOT-MRAM Devices.

We employ a fully three-dimensional model coupling magnetization, charge, spin, and temperature dynamics to study temperature effects in spin-orbit torque (SOT) magnetoresistive random access memory (MRAM). SOTs are included by considering spin currents generated through the spin Hall effect. We scale the magnetization parameters with the temperature. Numerical experiments show several time scales for temperature dynamics. The relatively slow temperature increase, after a rapid initial temperature rise, introduces an incubation time to the switching. Such a behavior cannot be reproduced with a constant temperature model. Furthermore, the critical SOT switching voltage is significantly reduced by the increased temperature. We demonstrate this phenomenon for switching of field-free SOT-MRAM. In addition, with an external-field-assisted switching, the critical SOT voltage shows a parabolic decrease with respect to the voltage applied across the magnetic tunnel junction (MTJ) of the SOT-MRAM cell, in agreement with recent experimental data.

Finite Element Approach for the Simulation of Modern MRAM Devices.

Because of their nonvolatile nature and simple structure, the interest in MRAM devices has been steadily growing in recent years. Reliable simulation tools, capable of handling complex geometries composed of multiple materials, provide valuable help in improving the design of MRAM cells. In this work, we describe a solver based on the finite element implementation of the Landau-Lifshitz-Gilbert equation coupled to the spin and charge drift-diffusion formalism. The torque acting in all layers from different contributions is computed from a unified expression. In consequence of the versatility of the finite element implementation, the solver is applied to switching simulations of recently proposed structures based on spin-transfer torque, with a double reference layer or an elongated and composite free layer, and of a structure combining spin-transfer and spin-orbit torques.

Application of Two-Dimensional Materials towards CMOS-Integrated Gas Sensors.

During the last few decades, the microelectronics industry has actively been investigating the potential for the functional integration of semiconductor-based devices beyond digital logic and memory, which includes RF and analog circuits, biochips, and sensors, on the same chip. In the case of gas sensor integration, it is necessary that future devices can be manufactured using a fabrication technology which is also compatible with the processes applied to digital logic transistors. This will likely involve adopting the mature complementary metal oxide semiconductor (CMOS) fabrication technique or a technique which is compatible with CMOS due to the inherent low costs, scalability, and potential for mass production that this technology provides. While chemiresistive semiconductor metal oxide (SMO) gas sensors have been the principal semiconductor-based gas sensor technology investigated in the past, resulting in their eventual commercialization, they need high-temperature operation to provide sufficient energies for the surface chemical reactions essential for the molecular detection of gases in the ambient. Therefore, the integration of a microheater in a MEMS structure is a requirement, which can be quite complex. This is, therefore, undesirable and room temperature, or at least near-room temperature, solutions are readily being investigated and sought after. Room-temperature SMO operation has been achieved using UV illumination, but this further complicates CMOS integration. Recent studies suggest that two-dimensional (2D) materials may offer a solution to this problem since they have a high likelihood for integration with sophisticated CMOS fabrication while also providing a high sensitivity towards a plethora of gases of interest, even at room temperature. This review discusses many types of promising 2D materials which show high potential for integration as channel materials for digital logic field effect transistors (FETs) as well as chemiresistive and FET-based sensing films, due to the presence of a sufficiently wide band gap. This excludes graphene from this review, while recent achievements in gas sensing with graphene oxide, reduced graphene oxide, transition metal dichalcogenides (TMDs), phosphorene, and MXenes are examined.

Challenges for Nanoscale CMOS Logic Based on Two-Dimensional Materials.

For ultra-scaled technology nodes at channel lengths below 12 nm, two-dimensional (2D) materials are a potential replacement for silicon since even atomically thin 2D semiconductors can maintain sizable mobilities and provide enhanced gate control in a stacked channel nanosheet transistor geometry. While theoretical projections and available experimental prototypes indicate great potential for 2D field effect transistors (FETs), several major challenges must be solved to realize CMOS logic circuits based on 2D materials at the wafer scale. This review discusses the most critical issues and benchmarks against the targets outlined for the 0.7 nm node in the International Roadmap for Devices and Systems scheduled for 2034. These issues are grouped into four areas; device scaling, the formation of low-resistive contacts to 2D semiconductors, gate stack design, and wafer-scale process integration. Here, we summarize recent developments in these areas and identify the most important future research questions which will have to be solved to allow for industrial adaptation of the 2D technology.

Spin and charge drift-diffusion in ultra-scaled MRAM cells.

Designing advanced single-digit shape-anisotropy MRAM cells requires an accurate evaluation of spin currents and torques in magnetic tunnel junctions (MTJs) with elongated free and reference layers. For this purpose, we extended the analysis approach successfully used in nanoscale metallic spin valves to MTJs by introducing proper boundary conditions for the spin currents at the tunnel barrier interfaces, and by employing a conductivity locally dependent on the angle between the magnetization vectors for the charge current. The experimentally measured voltage and angle dependencies of the torques acting on the free layer are thereby accurately reproduced. The switching behavior of ultra-scaled MRAM cells is in agreement with recent experiments on shape-anisotropy MTJs. Using our extended approach is absolutely essential to accurately capture the interplay of the Slonczewski and Zhang-Li torque contributions acting on a textured magnetization in composite free layers with the inclusion of several MgO barriers.

Strained MOSFETs on ordered SiGe dots.

The potential of strained DOTFET technology is demonstrated. This technology uses a SiGe island as a stressor for a Si capping layer, into which the transistor channel is integrated. The structure information of fabricated samples is extracted from atomic force microscopy (AFM) measurements. Strain on the upper surface of a 30 nm thick Si layer is in the range of 0.7%, as supported by finite element calculations. The Ge content in the SiGe island is 30% on average, showing an increase towards the top of the island. Based on the extracted structure information, three-dimensional strain profiles are calculated and device simulations are performed. Up to 15% enhancement of the NMOS saturation current is predicted.

Optimization of a Spin-Orbit Torque Switching Scheme Based on Micromagnetic Simulations and Reinforcement Learning.

Spin-orbit torque memory is a suitable candidate for next generation nonvolatile magnetoresistive random access memory. It combines high-speed operation with excellent endurance, being particularly promising for application in caches. In this work, a two-current pulse magnetic field-free spin-orbit torque switching scheme is combined with reinforcement learning in order to determine current pulse parameters leading to the fastest magnetization switching for the scheme. Based on micromagnetic simulations, it is shown that the switching probability strongly depends on the configuration of the current pulses for cell operation with sub-nanosecond timing. We demonstrate that the implemented reinforcement learning setup is able to determine an optimal pulse configuration to achieve a switching time in the order of 150 ps, which is 50% shorter than the time obtained with non-optimized pulse parameters. Reinforcement learning is a promising tool to automate and further optimize the switching characteristics of the two-pulse scheme. An analysis of the impact of material parameter variations has shown that deterministic switching can be ensured for all cells within the variation space, provided that the current densities of the applied pulses are properly adjusted.

Thermo-Electro-Mechanical Simulation of Semiconductor Metal Oxide Gas Sensors.

There is a growing demand in the semiconductor industry to integrate many functionalities on a single portable device. The integration of sensor fabrication with the mature CMOS technology has made this level of integration a reality. However, sensors still require calibration and optimization before full integration. For this, modeling and simulation is essential, since attempting new, innovative designs in a laboratory requires a long time and expensive tests. In this manuscript we address aspects for the modeling and simulation of semiconductor metal oxide gas sensors, devices which have the highest potential for integration because of their CMOS-friendly fabrication capability and low operating power. We analyze recent advancements using FEM models to simulate the thermo-electro-mechanical behavior of the sensors. These simulations are essentials to calibrate the design choices and ensure low operating power and improve reliability. The primary consumer of power is a microheater which is essential to heat the sensing film to appropriately high temperatures in order to initiate the sensing mechanism. Electro-thermal models to simulate its operation are presented here, using FEM and the Cauer network model. We show that the simpler Cauer model, which uses an electrical circuit to model the thermo-electrical behavior, can efficiently reproduce experimental observations.

Simulation of the Impact of Ionized Impurity Scattering on the Total Mobility in Si Nanowire Transistors.

Nanowire transistors (NWTs) are being considered as possible candidates for replacing FinFETs, especially for CMOS scaling beyond the 5-nm node, due to their better electrostatic integrity. Hence, there is an urgent need to develop reliable simulation methods to provide deeper insight into NWTs' physics and operation, and unlock the devices' technological potential. One simulation approach that delivers reliable mobility values at low-field near-equilibrium conditions is the combination of the quantum confinement effects with the semi-classical Boltzmann transport equation, solved within the relaxation time approximation adopting the Kubo⁻Greenwood (KG) formalism, as implemented in this work. We consider the most relevant scattering mechanisms governing intraband and multi-subband transitions in NWTs, including phonon, surface roughness and ionized impurity scattering, whose rates have been calculated directly from the Fermi's Golden rule. In this paper, we couple multi-slice Poisson⁻Schrödinger solutions to the KG method to analyze the impact of various scattering mechanisms on the mobility of small diameter nanowire transistors. As demonstrated here, phonon and surface roughness scattering are strong mobility-limiting mechanisms in NWTs. However, scattering from ionized impurities has proved to be another important mobility-limiting mechanism, being mandatory for inclusion when simulating realistic and doped nanostructures, due to the short range Coulomb interaction with the carriers. We also illustrate the impact of the nanowire geometry, highlighting the advantage of using circular over square cross section shapes.

Modeling of Gate Stack Patterning for Advanced Technology Nodes: A Review.

Semiconductor device dimensions have been decreasing steadily over the past several decades, generating the need to overcome fundamental limitations of both the materials they are made of and the fabrication techniques used to build them. Modern metal gates are no longer a simple polysilicon layer, but rather consist of a stack of several different materials, often requiring multiple processing steps each, to obtain the characteristics needed for stable operation. In order to better understand the underlying mechanics and predict the potential of new methods and materials, technology computer aided design has become increasingly important. This review will discuss the fundamental methods, used to describe expected topology changes, and their respective benefits and limitations. In particular, common techniques used for effective modeling of the transport of molecular entities using numerical particle ray tracing in the feature scale region will be reviewed, taking into account the limitations they impose on chemical modeling. The modeling of surface chemistries and recent advances therein, which have enabled the identification of dominant etch mechanisms and the development of sophisticated chemical models, is further presented. Finally, recent advances in the modeling of gate stack pattering using advanced geometries in the feature scale are discussed, taking note of the underlying methods and their limitations, which still need to be overcome and are actively investigated.

Accelerating Flux Calculations Using Sparse Sampling.

The ongoing miniaturization in electronics poses various challenges in the designing of modern devices and also in the development and optimization of the corresponding fabrication processes. Computer simulations offer a cost- and time-saving possibility to investigate and optimize these fabrication processes. However, modern device designs require complex three-dimensional shapes, which significantly increases the computational complexity. For instance, in high-resolution topography simulations of etching and deposition, the evaluation of the particle flux on the substrate surface has to be re-evaluated in each timestep. This re-evaluation dominates the overall runtime of a simulation. To overcome this bottleneck, we introduce a method to enhance the performance of the re-evaluation step by calculating the particle flux only on a subset of the surface elements. This subset is selected using an advanced multi-material iterative partitioning scheme, taking local flux differences as well as geometrical variations into account. We show the applicability of our approach using an etching simulation of a dielectric layer embedded in a multi-material stack. We obtain speedups ranging from 1.8 to 8.0, with surface deviations being below two grid cells (0.6⁻3% of the size of the etched feature) for all tested configurations, both underlining the feasibility of our approach.