The generalization of the Local Density Approximation (LDA) method for the systems with strong Coulomb correlations is presented which gives a correct description of the Mott insulators. The LDA+U method is based on the model hamiltonian approach and allows to take into account the non-sphericity of the Coulomb and exchange interactions. parameters. Orbital-dependent LDA+U potential gives correct orbital polarization and corresponding Jahn-Teller distortion. To calculate the spectra of the strongly correlated systems the impurity Anderson model should be solved with a many-electron trial wave function. All parameters of the many-electron hamiltonian are taken from LDA+U calculations. The method was applied to NiO and has shown good agreement with experimental photoemission spectra and with the oxygen Kα X-ray emission spectrum.

http://absimage.aps.org/image/MAR06/MWS_MAR06-2005-007233.pdf

First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method

The rapid development of information technology has led to urgent requirements for high efficiency and ultralow power consumption. In the past few decades, neuromorphic computing has drawn extensive attention due to its promising capability in processing massive data with extremely low power consumption. Here, we offer a comprehensive review on emerging artificial neuromorphic devices and their applications. In light of the inner physical processes, we classify the devices into nine major categories and discuss their respective strengths and weaknesses. We will show that anion/cation migration-based memristive devices, phase change, and spintronic synapses have been quite mature and possess excellent stability as a memory device, yet they still suffer from challenges in weight updating linearity and symmetry. Meanwhile, the recently developed electrolyte-gated synaptic transistors have demonstrated outstanding energy efficiency, linearity, and symmetry, but their stability and scalability still need to be optimized. Other emerging synaptic structures, such as ferroelectric, metal–insulator transition based, photonic, and purely electronic devices also have limitations in some aspects, therefore leading to the need for further developing high-performance synaptic devices. Additional efforts are also demanded to enhance the functionality of artificial neurons while maintaining a relatively low cost in area and power, and it will be of significance to explore the intrinsic neuronal stochasticity in computing and optimize their driving capability, etc. Finally, by looking into the correlations between the operation mechanisms, material systems, device structures, and performance, we provide clues to future material selections, device designs, and integrations for artificial synapses and neurons.

A comprehensive review on emerging artificial neuromorphic devices

Matter manipulation with extreme terahertz light : Progress in the enabling THz technology

Summary Vanadium dioxide (VO2) shows great potential as next-generation smart glazing for architecture owing to its automatic thermochromic effect depending on environmental temperatures. Besides widely studied aspects such as phase-transition temperature, luminous transmittance, and solar-modulation ability, there emerge several novel but necessary challenges of VO2-based smart glazing for real-world applications, including color modulation, multistate modulation, skin-comfort design, flexible fabrication, improved stability, and environmental friendliness. These challenges also bring about opportunities for VO2-based smart glazing. This review investigates the challenges and opportunities of VO2-based smart glazing that may be beneficial in accelerating the realization of real-world applications.

Challenges and Opportunities toward Real Application of VO2-Based Smart Glazing

Complex transition-metal oxides (TMOs) are critical materials for cutting-edge electronics and energy-related technologies, on the basis of their intriguing properties including ferroelectricity, magnetism, superconductivity, (photo- and electro-) catalytic activity, ionic conductivity, etc. These properties are fundamentally determined by the partially occupied TM d orbitals and the corresponding local coordination environments, which are sensitive to defects (or impurities), compositions, grain boundaries, surface and interfaces, etc. Recently, motivated by the advance in thin film epitaxy techniques, the complex oxide research community has shown great interest in controlling defects for enhanced or even unprecedented functional properties. In this review, we provide an overview on recent progress in tuning the functional properties of TMO thin films via defect engineering. We begin with a brief introduction to the defect chemistry of TMOs, including types of defects and their effects on local atomic structure, electron configurations and electronic structure, etc. We then review recent research efforts in engineering defects in TMOs for novel functionalities, such as ferroelectricity, magnetism, multi-ferroelectricity and dielectricity, two-dimensional electron/hole gas, metal–insulator transitions, resistive switching, ionic conductivity, photo-electrocatalysis, etc. We also provide insights into understanding the defect-structure–property relationship from the perspective of electronic structure. Finally, challenges and perspectives on control of defects for design of novel devices are discussed.

/pdf/defects-in-complex-oxide-thin-films-for-electronics-and-4qdcvb88y6.pdf

Defects in complex oxide thin films for electronics and energy applications: challenges and opportunities

The metal-insulator transition in correlated materials is usually coupled to a symmetry-lowering structural phase transition. This coupling not only complicates the understanding of the basic mechanism of this phenomenon but also limits the speed and endurance of prospective electronic devices. We demonstrate an isostructural, purely electronically driven metal-insulator transition in epitaxial heterostructures of an archetypal correlated material, vanadium dioxide. A combination of thin-film synthesis, structural and electrical characterizations, and theoretical modeling reveals that an interface interaction suppresses the electronic correlations without changing the crystal structure in this otherwise correlated insulator. This interaction stabilizes a nonequilibrium metallic phase and leads to an isostructural metal-insulator transition. This discovery will provide insights into phase transitions of correlated materials and may aid the design of device functionalities.

/pdf/isostructural-metal-insulator-transition-in-vo2-2916xdi5og.pdf

J. W. Spinuzzi

Papers

Isostructural metal-insulator transition in VO2