Download or read book SYMMETRY ENABLED DISCOVERY OF QUANTUM DEFECTS IN TWO DIMENSIONAL MATERIALS written by Jeng-Yuan Tsai and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum revolution has a great potential to impose massive impact on information technology. Point defects in solid-state materials such as NV center in diamond have been demonstrated to be promising qubit candidates. Defect levels in band gaps are analogous to molecular orbitals, serving as an excellent platform for quantum applications. Atomically thin two-dimensional materials are under the spotlight in recent years, as the sheet-like geometry brings advantages for operations of quantum defects. That includes the realization of patterned qubit fabrication, operation at room temperature, and improvement of coherence time through a highly-efficient isotope purification process. Although using point defects in 2D materials is a promising route toward quantum applications, searching for viable defects satisfying the criteria of magneto-optical properties for quantum applications is challenging. Thanks to the continued development of density functional theory, sophisticated multi-electron systems can be accurately simulated on the atomistic level to evaluate multiple ground-state properties, including total energy, magnetic polarization, and atomic orbitals. In addition to that, implementing constrained DFT renders the insight of excited-state properties. Benefited from the application of data-science tools in material science, we are now capable of performing data-driven analysis based on high-throughput computational techniques, including data mining/storage and automatic discovery workflow. Adopting the above tools and physical-principle-enabled symmetry analysis, we are able to identify a large set of quantum defects in a vast material space. We show that antisite defects in 2D transition metal dichalcogenides (TMDs) can provide a general platform for controllable solid-state spin qubit systems. Using high-throughput atomistic simulations that are enabled by a symmetry-based hypothesis, we identify several neutral antisite defects in TMDs that create defect levels deep in the bulk band gaps and host a paramagnetic triplet ground state. Our in-depth analysis reveals the presence of optical transitions and triplet-singlet intersystem crossing processes for fingerprinting these defect qubits. Finally, as an illustrative example, we discuss the initialization and readout principles of an antisite qubit in WS2, which is expected to be stable against interlayer interactions in a multilayer structure for qubit isolation and protection in future qubit-based devices. Motivated by the insight gained from the study of antisite defect qubits in TMDs, we significantly expanded the searching domain to all the binary 2D materials. As mentioned above, searching for defects with triplet ground states is one of the most crucial steps to identify more quantum defects that support multiple quantum functionalities. We design a comprehensive workflow for screening promising quantum defects based on the site-symmetry-based hypothesis. The discovery efforts reveal that the symmetry-enabled discovery workflow of quantum defects significantly increases the probability of finding triplet defects. To identify multiple functionalities for these quantum defects, including qubits and quantum emitters, the magneto-optical properties of triplet defects are comprehensively calculated. We demonstrate that 45 antisite defects in the various hosts, including post-transition metal monochalcogenides (PTMCs) and transition metal dichalcogenides (TMDs) are promising quantum defects. Most importantly, we propose that 16 antisites (both anion and cation based) in PTMCs can serve as the most promising quantum defect platform based on 2D materials, due to their well-defined defect levels, optimal magneto-optical properties, and the availability of host materials. This set of data-driven discovery efforts opens a new pathway for creating scalable, room-temperature spin qubits in 2D materials, including TMDs, PTMCs, and beyond. The comprehensive defect data created in this work, combined with experimental verification and demonstration in the future, will eventually lead to the fertilization of a 2D defect design platform that facilitates the design of point defects in 2D material families for multiple quantum functionalities, including quantum emitters, quantum sensor, transductor, and more.

Download or read book Defects in Two Dimensional Materials written by Rafik Addou and published by Elsevier. This book was released on 2022-02-14 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Defects in Two-Dimensional Materials addresses the fundamental physics and chemistry of defects in 2D materials and their effects on physical, electrical and optical properties. The book explores 2D materials such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMD). This knowledge will enable scientists and engineers to tune 2D materials properties to meet specific application requirements. The book reviews the techniques to characterize 2D material defects and compares the defects present in the various 2D materials (e.g. graphene, h-BN, TMDs, phosphorene, silicene, etc.). As two-dimensional materials research and development is a fast-growing field that could lead to many industrial applications, the primary objective of this book is to review, discuss and present opportunities in controlling defects in these materials to improve device performance in general or use the defects in a controlled way for novel applications. Presents the theory, physics and chemistry of 2D materials Catalogues defects of 2D materials and their impacts on materials properties and performance Reviews methods to characterize, control and engineer defects in 2D materials

Download or read book Accurate Quantum Mechanical Modeling of Defects in Two dimensional and Three dimensional Materials written by Elham Khorasani and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Layered materials beyond graphite such as hexagonal boron nitride (hBN) and transition metal dichalcogenides (TMDCs) like molybdenum disulfide (MoS2) are presently under intense study, and most applications require knowledge about their defects. In this work, first, density functional theory (DFT) has been employed to study the defects properties in hBN. According to earlier studies, the screened hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE), with parameters tuned to reproduce the relative position of the band edges and to satisfy the generalized Koopmans' theorem (gKT) , is capable of providing defect properties very accurately in traditional bulk semiconductors. This success is concluded to be connected to the proper description of electronic screening. I investigate whether such a functional can be optimized for layer compund such as hBN. I find that while the optimization is possible for bulk hBN, the optimized parameters can only be met approximately for the atomatically thin monolayer (ML) hBN. So, generally, the quantitative accuracy of defect calculations in 2D layers is limited. Using an optimized hybrid functional in bulk hBN, which reproduces the gap and satisfies the generalized Koopmans condition, an Ni configuration is found to be lower in energy than the ones reported so far. The (0/-) charge transition level is also much deeper, so Ni acts as a very efficient compensating center in n-type samples. Its calculated photoluminescence (PL) at 3.0 eV agrees well with the position of an N-sensitive band measured at 3.1 eV. Hyperfine interactions have been also performed to investigate the three boron electron (TBC) electron paramagnetic resonance (EPR) center in bulk hBN. I find that the carbon substitutional on the nitrogen site (CN) is the source of carbon-associated TBC in hBN in agreement with a previous study. I also show that the nitrogen vacancy (VN) cannot be the origin of the electron-associated produced TBC in hBN and in thermal equilibrium it cannot exist in ntype samples. Similarly, defects in van der Waals layered MoS2, play an important role. I present our first principle investigation of a water splitting for a defective monolayer molybdenum disulfide (ML MoS2). Defects such as molybdenum vacancy (VMo) and a vacancy complex of Mo and three S (VMoS3 ) in two configurations are considered. The complex defect VMoS3, where a pair of sulfur vacancies is placed on the top plane and the third vacancy on the bottom plane, is found to be sufficiently active to split the water molecule into OH and H. The water dissociation not occur for the complex defect VMoS3 if all sulfur vacancies are located at the surface. The presented results are critical for designing chemical sensing and hydrogen generation devices from MoS2.

Download or read book 2D Materials written by Phaedon Avouris and published by Cambridge University Press. This book was released on 2017-06-29 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn about the most recent advances in 2D materials with this comprehensive and accessible text. Providing all the necessary materials science and physics background, leading experts discuss the fundamental properties of a wide range of 2D materials, and their potential applications in electronic, optoelectronic and photonic devices. Several important classes of materials are covered, from more established ones such as graphene, hexagonal boron nitride, and transition metal dichalcogenides, to new and emerging materials such as black phosphorus, silicene, and germanene. Readers will gain an in-depth understanding of the electronic structure and optical, thermal, mechanical, vibrational, spin and plasmonic properties of each material, as well as the different techniques that can be used for their synthesis. Presenting a unified perspective on 2D materials, this is an excellent resource for graduate students, researchers and practitioners working in nanotechnology, nanoelectronics, nanophotonics, condensed matter physics, and chemistry.

Download or read book Two dimensional Materials written by Pramoda Kumar Nayak and published by BoD – Books on Demand. This book was released on 2016-08-31 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: There are only a few discoveries and new technologies in materials science that have the potential to dramatically alter and revolutionize our material world. Discovery of two-dimensional (2D) materials, the thinnest form of materials to ever occur in nature, is one of them. After isolation of graphene from graphite in 2004, a whole other class of atomically thin materials, dominated by surface effects and showing completely unexpected and extraordinary properties, has been created. This book provides a comprehensive view and state-of-the-art knowledge about 2D materials such as graphene, hexagonal boron nitride (h-BN), transition metal dichalcogenides (TMD) and so on. It consists of 11 chapters contributed by a team of experts in this exciting field and provides latest synthesis techniques of 2D materials, characterization and their potential applications in energy conservation, electronics, optoelectronics and biotechnology.

Download or read book Self Assembled Quantum Dots written by Zhiming M Wang and published by Springer Science & Business Media. This book was released on 2007-11-29 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multidisciplinary book provides up-to-date coverage of carrier and spin dynamics and energy transfer and structural interaction among nanostructures. Coverage also includes current device applications such as quantum dot lasers and detectors, as well as future applications to quantum information processing. The book will serve as a reference for anyone working with or planning to work with quantum dots.

Download or read book Valleytronics In 2d Materials written by Kuan Eng Johnson Goh and published by World Scientific. This book was released on 2023-06-26 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Driven by the advent of two-dimensional materials, valleytronics is emerging as the next hot field of research in materials science. While the use of charge or spin degrees of freedom in electronic materials as information carriers is familiar and well-appreciated, employment of the valley degree of freedom as an information carrier has remained elusive for many decades. Shortly following the discovery of isolated graphene, 2D semiconductors such as transition metal dichalcogenides were also isolated and investigated. We now understand that these materials can have separately addressable valleys because each valley can be uniquely coupled to a spin state. This imparts the ability to address different valleys (like pseudospins) with electric field, magnetic field, or light, and there is now a real possibility to engineer practical devices based on using valley as the information carrier.Valleytronics in 2D Materials is the first book in the world on the topic of valleytronics. The reader is introduced to the concept via a brief history emphasizing the challenges that impeded its development for so long. We then dive into the valley physics of 2D semiconductors to explain the recent excitement in 2D valleytronics, the scientific investigations to confirm the addressable valleys, and the attempts to engineer valley devices for practical purposes. The text takes on a decidedly practical approach towards the subject, seeking to bring the reader quickly into the field by presenting the minimum theoretical basis for understanding the use of the valley degree of freedom in devices. A selection of key works establishing the scientific underpinnings of valley addressability and control are described to help the reader grasp the current stage of understanding, the technical foundations established, and the open questions. The renewal in valleytronics is yet unfinished, but with more than a decade of research and engineering efforts devoted in recent times, this book seeks to provide a timely reference for students, scientists and engineers to join this exciting journey and perhaps help to create the next disruption in information technology.

Download or read book 2D Metal Carbides and Nitrides MXenes written by Babak Anasori and published by Springer Nature. This book was released on 2019-10-30 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the rapidly expanding field of two-dimensional (2D) transition metal carbides and nitrides (MXenes). It covers fundamental knowledge on synthesis, structure, and properties of these new materials, and a description of their processing, scale-up and emerging applications. The ways in which the quickly expanding family of MXenes can outperform other novel nanomaterials in a variety of applications, spanning from energy storage and conversion to electronics; from water science to transportation; and in defense and medical applications, are discussed in detail.

Download or read book 2D Monoelemental Materials Xenes and Related Technologies written by Zongyu Huang and published by CRC Press. This book was released on 2022-04-19 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: Monoelemental 2D materials called Xenes have a graphene-like structure, intra-layer covalent bond, and weak van der Waals forces between layers. Materials composed of different groups of elements have different structures and rich properties, making Xenes materials a potential candidate for the next generation of 2D materials. 2D Monoelemental Materials (Xenes) and Related Technologies: Beyond Graphene describes the structure, properties, and applications of Xenes by classification and section. The first section covers the structure and classification of single-element 2D materials, according to the different main groups of monoelemental materials of different components and includes the properties and applications with detailed description. The second section discusses the structure, properties, and applications of advanced 2D Xenes materials, which are composed of heterogeneous structures, produced by defects, and regulated by the field. Features include: Systematically detailed single element materials according to the main groups of the constituent elements Classification of the most effective and widely studied 2D Xenes materials Expounding upon changes in properties and improvements in applications by different regulation mechanisms Discussion of the significance of 2D single-element materials where structural characteristics are closely combined with different preparation methods and the relevant theoretical properties complement each other with practical applications Aimed at researchers and advanced students in materials science and engineering, this book offers a broad view of current knowledge in the emerging and promising field of 2D monoelemental materials.

Download or read book Advanced Topological Insulators written by Huixia Luo and published by John Wiley & Sons. This book was released on 2019-03-12 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first pedagogical synthesis of the field of topological insulators and superconductors, one of the most exciting areas of research in condensed matter physics. Presenting the latest developments, while providing all the calculations necessary for a self-contained and complete description of the discipline, it is ideal for researchers and graduate students preparing to work in this area, and it will be an essential reference both within and outside the classroom. The book begins with the fundamental description on the topological phases of matter such as one, two- and three-dimensional topological insulators, and methods and tools for topological material's investigations, topological insulators for advanced optoelectronic devices, topological superconductors, saturable absorber and in plasmonic devices. Advanced Topological Insulators provides researchers and graduate students with the physical understanding and mathematical tools needed to embark on research in this rapidly evolving field.

Download or read book Domestic Manufacturing Capabilities for Critical DoD Applications written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-12-21 with total page 109 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advancements in quantum-enabled systems present a variety of new opportunities and challenges. These technologies are important developments for a variety of computing, communications, and sensing applications. However, many materials and components relevant to quantum-enabled systems exist outside of the United States, and it is important to promote the development of assured domestic sources of materials, manufacturing capabilities, and expertise. The National Academies of Sciences, Engineering, and Medicine convened a 2-day workshop to explore implications and concerns related to the application of quantum-enabled systems in the United States. This workshop focused on quantum-enabled computing systems, quantum communications and networks, and quantum sensing opportunities. Participants explored the path to quantum computing, communications, and networks, opportunities for collaboration, as well as key gaps, supply chain concerns, and security issues. This publication summarizes the presentations and discussions from the workshop.

Download or read book Quantum Confined Excitons in 2 Dimensional Materials written by Carmen Palacios-Berraquero and published by Springer. This book was released on 2018-11-02 with total page 116 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the first established experimental results of an emergent field: 2-dimensional materials as platforms for quantum technologies, specifically through the optics of quantum-confined excitons. It also provides an extensive review of the literature from a number of disciplines that informed the research, and introduces the materials of focus – 2d Transition Metal Dichalcogenides (2d-TMDs) – in detail, discussing electronic and chemical structure, excitonic behaviour and response to strain. This is followed by a brief overview of quantum information technologies, including concepts such as single-photon sources and quantum networks. The methods chapter addresses quantum optics techniques and 2d-material processing, while the results section shows the development of a method to deterministically create quantum dots (QDs) in the 2d-TMDs, which can trap single-excitons; the fabrication of atomically thin quantum light-emitting diodes to induce all-electrical single-photon emission from the QDs, and lastly, the use of devices to controllably trap single-spins in the QDs –the first step towards their use as optically-addressable matter qubits.

Download or read book Ultrafast Photonics written by A. Miller and published by CRC Press. This book was released on 2019-08-22 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ultrafast photonics has become an interdisciplinary topic of high international research interest because of the spectacular development of compact and efficient lasers producing optical pulses with durations in the femtosecond time domain. Present day long-haul telecommunications systems are almost entirely based on the transmission of short burst

Download or read book 2D Materials for Photonic and Optoelectronic Applications written by Qiaoliang Bao and published by Woodhead Publishing. This book was released on 2019-10-19 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: 2D Materials for Photonic and Optoelectronic Applications introduces readers to two-dimensional materials and their properties (optical, electronic, spin and plasmonic), various methods of synthesis, and possible applications, with a strong focus on novel findings and technological challenges. The two-dimensional materials reviewed include hexagonal boron nitride, silicene, germanene, topological insulators, transition metal dichalcogenides, black phosphorous and other novel materials. This book will be ideal for students and researchers in materials science, photonics, electronics, nanotechnology and condensed matter physics and chemistry, providing background for both junior investigators and timely reviews for seasoned researchers. Provides an in-depth look at boron nitride, silicene, germanene, topological insulators, transition metal dichalcogenides, and more Reviews key applications for photonics and optoelectronics, including photodetectors, optical signal processing, light-emitting diodes and photovoltaics Addresses key technological challenges for the realization of optoelectronic applications and comments on future solutions

Download or read book Quantum Computing written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-04-27 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanics, the subfield of physics that describes the behavior of very small (quantum) particles, provides the basis for a new paradigm of computing. First proposed in the 1980s as a way to improve computational modeling of quantum systems, the field of quantum computing has recently garnered significant attention due to progress in building small-scale devices. However, significant technical advances will be required before a large-scale, practical quantum computer can be achieved. Quantum Computing: Progress and Prospects provides an introduction to the field, including the unique characteristics and constraints of the technology, and assesses the feasibility and implications of creating a functional quantum computer capable of addressing real-world problems. This report considers hardware and software requirements, quantum algorithms, drivers of advances in quantum computing and quantum devices, benchmarks associated with relevant use cases, the time and resources required, and how to assess the probability of success.

Download or read book Oxide Materials at the Two Dimensional Limit written by Falko P. Netzer and published by Springer. This book was released on 2016-04-01 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the current knowledge of two-dimensional oxide materials. The fundamental properties of 2-D oxide systems are explored in terms of atomic structure, electronic behavior and surface chemistry. The concept of polarity in determining the stability of 2-D oxide layers is examined, charge transfer effects in ultrathin oxide films are reviewed as well as the role of defects in 2-D oxide films. The novel structure concepts that apply in oxide systems of low dimensionality are addressed, and a chapter giving an overview of state-of-the-art theoretical methods for electronic structure determination of nanostructured oxides is included. Special emphasis is given to a balanced view from the experimental and the theoretical side. Two-dimensional materials, and 2-D oxides in particular, have outstanding behavior due to dimensionality and proximity effects. Several chapters treat prototypical model systems as illustrative examples to discuss the peculiar physical and chemical properties of 2-D oxide systems. The chapters are written by renowned experts in the field.

Download or read book Two Dimensional Materials for Nonlinear Optics written by Qiang Wang and published by John Wiley & Sons. This book was released on 2024-01-03 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive resource covering concepts, perspectives, and skills required to understand the preparation, nonlinear optics, and applications of two-dimensional (2D) materials Bringing together many interdisciplinary experts in the field of 2D materials with their applications in nonlinear optics, Two-Dimensional Materials for Nonlinear Optics covers preparation methods for various novel 2D materials, such as transition metal dichalcogenides (TMDs) and single elemental 2D materials, excited-state dynamics of 2D materials behind their outstanding performance in photonic devices, instrumentation for exploring the photoinduced excited-state dynamics of the 2D materials spanning a wide time scale from ultrafast to slow, and future trends of 2D materials on a series of issues like fabrications, dynamic investigations, and photonic/optoelectronic applications. Powerful nonlinear optical characterization techniques, such as Z-scan measurement, femtosecond transient absorption spectroscopy, and microscopy are also introduced. Edited by two highly qualified academics with extensive experience in the field, Two-Dimensional Materials for Nonlinear Optics covers sample topics such as: Foundational knowledge on nonlinear optical properties, and fundamentals and preparation methods of 2D materials with nonlinear optical properties Modulation and enhancement of optical nonlinearity in 2D materials, and nonlinear optical characterization techniques for 2D materials and their applications in a specific field Novel nonlinear optical imaging systems, ultrafast time-resolved spectroscopy for investigating carrier dynamics in emerging 2D materials, and transient terahertz spectroscopy 2D materials for optical limiting, saturable absorber, second and third harmonic generation, nanolasers, and space use With collective insight from researchers in many different interdisciplinary fields, Two-Dimensional Materials for Nonlinear Optics is an essential resource for materials scientists, solid state chemists and physicists, photochemists, and professionals in the semiconductor industry who are interested in understanding the state of the art in the field.