Competing Easy-Axis Anisotropies Impacting Magnetic Tunnel Junction-Based Molecular Spintronics Devices (MTJMSDs).

Molecular spintronics devices (MSDs) attempt to harness molecules' quantum state, size, and configurable attributes for application in computer devices-a quest that began more than 70 years ago. In the vast number of theoretical studies and limited experimental attempts, MSDs have been found to be suitable for application in memory devices and futuristic quantum computers. MSDs have recently also exhibited intriguing spin photovoltaic-like phenomena, signaling their potential application in cost-effective and novel solar cell technologies. The molecular spintronics field's major challenge is the lack of mass-fabrication methods producing robust magnetic molecule connections with magnetic electrodes of different anisotropies. Another main challenge is the limitations of conventional theoretical methods for understanding experimental results and designing new devices. Magnetic tunnel junction-based molecular spintronics devices (MTJMSDs) are designed by covalently connecting paramagnetic molecules across an insulating tunneling barrier. The insulating tunneling barrier serves as a mechanical spacer between two ferromagnetic (FM) electrodes of tailorable magnetic anisotropies to allow molecules to undergo many intriguing phenomena. Our experimental studies showed that the paramagnetic molecules could produce strong antiferromagnetic coupling between two FM electrodes, leading to a dramatic large-scale impact on the magnetic electrode itself. Recently, we showed that the Monte Carlo Simulation (MCS) was effective in providing plausible insights into the observation of unusual magnetic domains based on the role of single easy-axis magnetic anisotropy. Here, we experimentally show that the response of a paramagnetic molecule is dramatically different when connected to FM electrodes of different easy-axis anisotropies. Motivated by our experimental studies, here, we report on an MCS study investigating the impact of the simultaneous presence of two easy-axis anisotropies on MTJMSD equilibrium properties. In-plane easy-axis anisotropy produced multiple magnetic phases of opposite spins. The multiple magnetic phases vanished at higher thermal energy, but the MTJMSD still maintained a higher magnetic moment because of anisotropy. The out-of-plane easy-axis anisotropy caused a dominant magnetic phase in the FM electrode rather than multiple magnetic phases. The simultaneous application of equal-magnitude in-plane and out-of-plane easy-axis anisotropies on the same electrode negated the anisotropy effect. Our experimental and MCS study provides insights for designing and understanding new spintronics-based devices.

Easy axis anisotropy creating high contrast magnetic zones on magnetic tunnel junctions based molecular spintronics devices (MTJMSD).

Magnetic tunnel junction-based molecular spintronics device (MTJMSD) may enable novel magnetic metamaterials by chemically bonding magnetic molecules and ferromagnets (FM) with a vast range of magnetic anisotropy. MTJMSD have experimentally shown intriguing microscopic phenomenon such as the development of highly contrasting magnetic phases on a ferromagnetic electrode at room temperature. This paper focuses on Monte Carlo Simulations (MCS) on MTJMSD to understand the potential mechanism and explore fundamental knowledge about the impact of magnetic anisotropy. The selection of MCS is based on our prior study showing the potential of MCS in explaining experimental results (Tyagi et al. in Nanotechnology 26:305602, 2015). In this paper, MCS is carried out on the 3D Heisenberg model of cross-junction-shaped MTJMSDs. Our research represents the experimentally studied cross-junction-shaped MTJMSD where paramagnetic molecules are covalently bonded between two FM electrodes along the exposed side edges of the magnetic tunnel junction (MTJ). We have studied atomistic MTJMSDs properties by simulating a wide range of easy-axis anisotropy for the case of experimentally observed predominant molecule-induced strong antiferromagnetic coupling. Our study focused on understanding the effect of anisotropy of the FM electrodes on the overall MTJMSDs at various temperatures. This study shows that the multiple domains of opposite spins start to appear on an FM electrode as the easy-axis anisotropy increases. Interestingly, MCS results resembled the experimentally observed highly contrasted magnetic zones on the ferromagnetic electrodes of MTJMSD. The magnetic phases with starkly different spins were observed around the molecular junction on the FM electrode with high anisotropy.

A Passive Magnetoelastic Radiation Sensor.

A passive gamma detection technology, consisting of a fielded sensor and a separate analysis system, is described. The sensor is a small cylinder, about 2.5 mm in diameter and 15 mm in length. It requires no onboard power sources or physical connections for power or data transfer, and retains its cumulative response to radiation. The sensor consists of an amorphous magnetoelastic wire held in a longitudinally-stressed state by a radiation-sensitive material. When the radiation-sensitive material is subjected to gamma radiation, it mechanically degrades, relaxing the stress on the wire and lowering the wire's magnetic permeability. The changes in permeability are observed by switching the magnetic domains in the wire and measuring the reduction in the Faraday voltage as the stress is diminished. The analysis package is built around an excitation-detection coil set and can communicate wirelessly with the sensor through a metallic or nonmetallic barrier at distances up to about 25 mm. The sensor response is linear up to a dose of at least 7 kGy.

Chemical Sensor Based Upon Stress-Induced Changes in the Permeability of a Magnetoelastic Wire.

We introduce a chemical sensing technology, named ChIMES (Chemical Identification through Magneto-Elastic Sensing), that can detect a broad range of targets and that has the capability of untethered communication through a metallic or nonmetallic barrier. These features enable many applications in which penetrations into the sampled environment are unwanted or infeasible because of health, safety, or environmental concerns, such as following the decomposition of a dangerous material in a sealed container. The sensing element is passive and consists of a target response material hard-coupled to a magnetoelastic wire. When the response material encounters a target, it expands, imposing mechanical stress on the wire and altering its magnetic permeability. Using a remote excitation-detection coil set, the changes in permeability are observed by switching the magnetic domains in the wire and measuring the modifications in the Faraday voltage as the stress is varied. Sensors with different response materials can be arrayed and interrogated individually. We describe the sensor and its associated instrumentation, compare the performance of several types of wire, and evaluate analytical metrics of single and arrayed ChIMES sensors against a suite of volatile organic compounds.

Independent component analysis of nanomechanical responses of cantilever arrays.

The ability to detect and identify chemical and biological elements in air or liquid environments is of far reaching importance. Performing this task using technology that minimally impacts the perceived environment is the ultimate goal. The development of functionalized cantilever arrays with nanomechanical sensing is an important step towards this goal. This report couples the feature extraction abilities of independent component analysis (ICA) and the classification techniques of neural networks to analyze the signals produced by microcantilever-array-based nanomechanical sensors. The unique capabilities of this analysis unleash the potential of this sensing technology to accurately identify chemical mixtures and concentrations. Furthermore, it is demonstrated that the knowledge of how the sensor array reacts to individual analytes in isolation is sufficient information to decode mixtures of analytes--a substantial benefit, significantly increasing the analytical utility of these sensing devices.

A physical approach to protein structure prediction.

We describe our global optimization method called Stochastic Perturbation with Soft Constraints (SPSC), which uses information from known proteins to predict secondary structure, but not in the tertiary structure predictions or in generating the terms of the physics-based energy function. Our approach is also characterized by the use of an all atom energy function that includes a novel hydrophobic solvation function derived from experiments that shows promising ability for energy discrimination against misfolded structures. We present the results obtained using our SPSC method and energy function for blind prediction in the 4th Critical Assessment of Techniques for Protein Structure Prediction competition, and show that our approach is more effective on targets for which less information from known proteins is available. In fact our SPSC method produced the best prediction for one of the most difficult targets of the competition, a new fold protein of 240 amino acids.