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Author : Daniel Bilc
Publisher :
ISBN 13 :
Total Pages : 310 pages
Book Rating : 4.3/5 (129 download)
Download or read book Electronic Structure and Thermoelectric Properties on Narrow Band Gap Chalcogenides written by Daniel Bilc and published by . This book was released on 2005 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Dat Thanh Do
Publisher :
ISBN 13 : 9781303348013
Total Pages : 130 pages
Book Rating : 4.3/5 (48 download)
Download or read book Electronic Structure and Thermoelectric Properties of Narrow Band Gap Semiconductors and Pseudo-gap Systems written by Dat Thanh Do and published by . This book was released on 2013 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Zachary Michael Gibbs
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (919 download)
Download or read book Band Engineering in Thermoelectric Materials Using Optical, Electronic, and Ab-Initio Computed Properties written by Zachary Michael Gibbs and published by . This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermoelectric materials have demanded a significant amount of attention for their ability to convert waste heat directly to electricity with no moving parts. A resurgence in thermoelectrics research has led to significant enhancements in the thermoelectric figure of merit, zT, even for materials that were already well studied. This thesis approaches thermoelectric zT optimization by developing a detailed understanding of the electronic structure using a combination of electronic/thermoelectric properties, optical properties, and ab-initio computed electronic band structures. This is accomplished by applying these techniques to three important classes of thermoelectric materials: IV-VI materials (the lead chalcogenides), Half-Heusler's (XNiSn where X=Zr, Ti, Hf), and CoSb3 skutterudites. In the IV-VI materials (PbTe, PbSe, PbS) I present a shifting temperature-dependent optical absorption edge which correlates well to the computed ab-initio molecular dynamics result. Contrary to prior literature that suggests convergence of the primary and secondary bands at 400 K, I suggest a higher convergence temperature of 700, 900, and 1000 K for PbTe, PbSe, and PbS, respectively. This finding can help guide electronic properties modelling by providing a concrete value for the band gap and valence band offset as a function of temperature. Another important thermoelectric material, ZrNiSn (half-Heusler), is analyzed for both its optical and electronic properties; transport properties indicate a largely different band gap depending on whether the material is doped n-type or p-type. By measuring and reporting the optical band gap value of 0.13 eV, I resolve the discrepancy in the gap calculated from electronic properties (maximum Seebeck and resistivity) by correlating these estimates to the electron-to-hole weighted mobility ratio, A, in narrow gap materials (A is found to be approximately 5.0 in ZrNiSn). I also show that CoSb3 contains multiple conduction bands that contribute to the thermoelectric properties. These bands are also observed to shift towards each other with temperature, eventually reaching effective convergence for T>500 K. This implies that the electronic structure in CoSb3 is critically important (and possibly engineerable) with regards to its high thermoelectric figure of merit.
Author : D. Khokhlov
Publisher : CRC Press
ISBN 13 : 9781560329169
Total Pages : 720 pages
Book Rating : 4.3/5 (291 download)
Download or read book Lead Chalcogenides written by D. Khokhlov and published by CRC Press. This book was released on 2002-11-15 with total page 720 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lead Chalcogenides remain one of the basic materials of modern infrared optoelectronics. This volume presents the [roperties of lead chalcogenides, including the basic physical features, the bulk and epitaxial growth technique, and the 2-D physics of lead chalcogenide-based structures. In addition, the theoretical appraoches for band structure and impurity state calculations are reviewed.
Author : Walter Ashley Harrison
Publisher : World Scientific
ISBN 13 : 9789812387080
Total Pages : 866 pages
Book Rating : 4.3/5 (87 download)
Download or read book Elementary Electronic Structure written by Walter Ashley Harrison and published by World Scientific. This book was released on 2004 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a revised edition of the 1999 text on the electronic structure and properties of solids, similar in spirit to the well-known 1980 text Electronic Structure and the Properties of Solids. The revisions include an added chapter on glasses, and rewritten sections on spin-orbit coupling, magnetic alloys, and actinides. The text covers covalent semiconductors, ionic insulators, simple metals, and transition-metal and f-shell-metal systems. It focuses on the most important aspects of each system, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. Such back-of-the-envelope formulae, which display the dependence of any property on the parameters of the system, are characteristic of Harrison's approach to electronic structure, as is his simple presentation and his provision of all the needed parameters.In spite of the diversity of systems and materials, the approach is systematic and coherent, combining the tight-binding (or atomic) picture with the pseudopotential (or free-electron) picture. This provides parameters ? the empty-core radii as well as the covalent energies ? and conceptual bases for estimating the various properties of all these systems. Extensive tables of parameters and properties are included.The book has been written as a text, with problems at the end of each chapter, and others can readily be generated by asking for estimates of different properties, or different materials, than those treated in the text. In fact, the ease of generating interesting problems reflects the extraordinary utility and simplicity of the methods introduced. Developments since the 1980 publication have made the theory simpler and much more accurate, besides allowing much wider application.
Author : D. Khokhlov
Publisher : Routledge
ISBN 13 : 1351435566
Total Pages : 712 pages
Book Rating : 4.3/5 (514 download)
Download or read book Lead Chalcogenides written by D. Khokhlov and published by Routledge. This book was released on 2021-12-16 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lead Chalcogenides remain one of the basic materials of modern infrared optoelectronics. This volume presents the properties of lead chalcogenides, including the basic physical features, the bulk and epitaxial growth technique, and the 2-D physics of lead chalcogenide-based structures. In addition, the theoretical appraoches for band structure and impurity state calculations are reviewed.
Author : Sahib Hasan
Publisher :
ISBN 13 :
Total Pages : 196 pages
Book Rating : 4.:/5 (128 download)
Download or read book First-principles Study of the Electronic Structure, Bonding, Optical, Mechanical, and Thermoelectric Properties of Bulk Chalcogenide Crystals written by Sahib Hasan and published by . This book was released on 2021 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chalcogenide crystals are a unique class of materials very different from semiconductors or metallic alloys. They have many practical applications in the civil and military fields, especially in relation to their electronic, optical, and mechanical properties for energy conversion as thermoelectric materials and in environmental materials. Thermoelectric materials can be used to generate electricity from the temperature gradient based on the Seebeck effect and based on the Peltier effect they can be used in cooling applications. However, the fundamental understanding of the electronic structure and other physical properties of the chalcogenides is rather scattered and incomplete because they are much less systemically studied. This work provides a comprehensive study of many physical properties for large number of chalcogenide crystals. This work is mainly divided into two main parts: chapter 3 and chapter 4. In the first part of this work (chapter 3), we present a detailed study using first-principles calculations on the electronic structure, interatomic bonding, optical, and mechanical properties for 131 chalcogenide crystals. This part itself is divided into two main sections: section 3.1 and section 3.2 in chapter 3. Section 3.1 is for the first 32 crystals of 131 crystals, while section 3.2 is for the remaining 99 crystals. Based on this large database, we are able to identify some new and conspicuous observations to reach some useful conclusions related to the chemical composition of the chalcogenide compounds and their complex interatomic interactions. Moreover, the total bond order density (TBOD) is used as a single quantum mechanical metric to characterize the internal cohesion of these crystals enabling us to correlate them with the calculated properties, especially their mechanical properties. Finally, generalization of the observed trends and empirical rules can be extended to much larger classes of ternary and quaternary chalcogenide crystals and glasses so far unexplored. In the second part of this work (chapter 4), using density functional theory and semiclassical Boltzmann theory, we have computed the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and figure of merit of 30 chalcogenide crystals. VASP and Quantum Espresso packages are used to relax the crystal structures, calculate the electronic properties, and locate the Fermi level. The transport properties are then calculated using the BoltTraP code. The 30 crystals are divided into two groups. The first group has four crystals with quaternary composition (A2BCQ4) (A = Tl; B = Cd, Hg; C = Si, Ge, Sn; Q = S, Se, Te). The second group contains 26 crystals with the ternary composition (A'B'Q2) (A' = Ag, Cu, Au, Na; B' = B, Al, Ga, In; Q = S, Se, Te). Among these 30 chalcogenide crystals, the results for 11 crystals: Tl2CdGeSe4, Tl2CdSnSe4, Tl2HgSiSe4, Tl2HgSnS4, AuBSe2, AuBTe2, AuAlTe2, AuGaTe2, AuInTe2, AgAlSe2, and AgAlTe2 are revealed for the first time. In addition, temperature dependent transport properties of pure and doped AgSbSe2 and AgSbTe2 crystals with dopant compositions of AgSb0.94Cd0.06Te2 and AgSbTe1.85Se0.15 were explored. These results provide a large database for bulk chalcogenides crucial for a wide range of potential applications in renewable energy fields.
Author : Xinyu Liu
Publisher : Woodhead Publishing
ISBN 13 : 0081027362
Total Pages : 399 pages
Book Rating : 4.0/5 (81 download)
Download or read book Chalcogenide written by Xinyu Liu and published by Woodhead Publishing. This book was released on 2019-11-14 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chalcogenide: From 3D to 2D and Beyond reviews graphene-like 2D chalcogenide systems that include topological insulators, interesting thermoelectric structures, and structures that exhibit a host of spin phenomena that are unique to 2D and lower-dimensional geometries. The book describes state-of-the-art materials in growth and fabrication, magnetic, electronic and optical characterization, as well as the experimental and theoretical aspects of this family of materials. Bulk chalcogenides, chalcogenide films, their heterostructures and low-dimensional chalcogenide-based quantum structures are discussed. Particular attention is paid to findings that are relevant to the continued search for new physical phenomena and new functionalities. Finally, the book covers the enormous opportunities that have emerged as it has become possible to achieve lower-dimensional chalcogenide structures by epitaxial techniques. - Provides readers with foundational information on the materials growth, fabrication, magnetic, electronic and optical characterization of chalcogenide materials - Discusses not only bulk chalcogenides and chalcogenide thin films, but also two-dimensional chalcogenide materials systems - Reviews the most important applications in optoelectronics, photovoltaics and thermoelectrics
Author : Suresh Sagadevan
Publisher : BoD – Books on Demand
ISBN 13 : 0854661859
Total Pages : 112 pages
Book Rating : 4.8/5 (546 download)
Download or read book Structural and Chemical Features of Chalcogenides written by Suresh Sagadevan and published by BoD – Books on Demand. This book was released on 2024-07-03 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: Investigate the chalcogenides with this comprehensive consideration of their structural and chemical characteristics. This book provides a deep dive for researchers, material scientists, and inquisitive minds. • Explore the bonding patterns and atomic arrangements that define chalcogenides. • Unravel the unique crystal structures of various chalcogenide families, from layered wonders to complex networks. • Gain a thorough understanding of the factors governing chalcogenide formation and composition. • Have an impact on structural and chemical features by the electrical, optical, and other properties of chalcogenides. • Implement the vast applications of chalcogenides in fields ranging from photonics and electronics to energy storage and catalysis. • Learn the structural and chemical features of chalcogenides to provide a rich understanding of these versatile materials, positioning you to unlock their potential for groundbreaking advancements.
Author : Jun Ho Kim
Publisher :
ISBN 13 :
Total Pages : 476 pages
Book Rating : 4.3/5 (129 download)
Download or read book Exploratory Synthesis and Characterization of New Multinary Bismuth Chalcogenides Related by Phase Homologies written by Jun Ho Kim and published by . This book was released on 2006 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Raghavendra Nunna
Publisher :
ISBN 13 :
Total Pages : 145 pages
Book Rating : 4.:/5 (911 download)
Download or read book Novel Chalcogenides for Thermoelectric Conversion written by Raghavendra Nunna and published by . This book was released on 2013 with total page 145 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this thesis work is the exploratory preparation of novel chalcogenides as potential thermoelectric materials and the analyses of their physical properties. A thermoelectric material is capable of converting heat to electricity or vice versa. Usually, narrow band gap semiconductors are good candidates for thermoelectric applications, because such materials have large Seebeck coefficient, reasonably high electrical conductivity and low thermal conductivity. In this work, two different systems were studied, intermetallic pseudo hollandite structures and layered CdI2 type structures. In the large family of pseudo hollandite systems, we mainly focused on thallium systems in which the solid solution TlxCr5Se8 and TlCr5Se8-xTex have been synthesized. In CdI2 structures, we focused our investigation on transition metal selenides for their rather semiconducting properties. Therefore we embarked on the systematic study of AgCrSe2, TiS2 and TiSe2. In addition, the effect on physical properties using different intercalated elements (Ag and Cu) in TiSe2 chalcogenides were studied. All these samples are prepared by the solid state reaction. The purity of the samples was confirmed by powder X-ray diffraction data, physical and thermal properties were measured on Spark Plasma Sintered (SPS) samples. Low thermal conductivity as well as competitive power factors was observed in these chalcogenides. The highest zT of 0.54 is achieved in titanium dichalcogenides for the composition of Cu0.05TiS1.5Se0.5 at 700K. Our results show that these structures are potential for future thermoelectric materials research.
Author : Aleksandra T. Tomic
Publisher :
ISBN 13 :
Total Pages : 244 pages
Book Rating : 4.3/5 (129 download)
Download or read book Scanning Tunneling Microscopy of Complex Electronic Materials written by Aleksandra T. Tomic and published by . This book was released on 2008 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Vladimir I Anisimov
Publisher : CRC Press
ISBN 13 : 9789056991319
Total Pages : 342 pages
Book Rating : 4.9/5 (913 download)
Download or read book Strong Coulomb Correlations in Electronic Structure Calculations written by Vladimir I Anisimov and published by CRC Press. This book was released on 2000-05-30 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials where electrons show nearly localized rather than itinerant behaviour, such as the high-temperature superconducting copper oxides, or manganate oxides, are attracting interest due to their physical properties and potential applications. For these materials, the interaction between electrons, or electron correlation, plays an important role in describing their electronic strucuture, and the standard methods for the calculation of their electronic spectra based on the local density approximation (LDA) breakdown. This is the first attempt to describe recent approaches that go beyond the concept of the LDA, to successfully describe the electronic structure of narrow-band materials.
Author : Ranjan Kumar
Publisher : Woodhead Publishing
ISBN 13 : 0128204397
Total Pages : 358 pages
Book Rating : 4.1/5 (282 download)
Download or read book Thermoelectricity and Advanced Thermoelectric Materials written by Ranjan Kumar and published by Woodhead Publishing. This book was released on 2021-06-03 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermoelectricity and Advanced Thermoelectric Materials reviews emerging thermoelectric materials, including skutterudites, clathrates, and half-Heusler alloys. In addition, the book discusses a number of oxides and silicides that have promising thermoelectric properties. Because 2D materials with high figures of merit have emerged as promising candidates for thermoelectric applications, this book presents an updated introduction to the field of thermoelectric materials, including recent advances in materials synthesis, device modeling, and design. Finally, the book addresses the theoretical difficulties and methodologies of computing the thermoelectric properties of materials that can be used to understand and predict highly efficient thermoelectric materials. This book is a key reference for materials scientists, physicists, and engineers in energy. - Reviews the most relevant, emerging thermoelectric materials, including 2D materials, skutterudites, clathrates and half-Heusler alloys - Focuses on how electronic structure engineering can lead to improved materials performance for thermoelectric energy conversion applications - Includes the latest advances in the synthesis, modeling and design of advanced thermoelectric materials
Author : Aida Sheibani
Publisher :
ISBN 13 :
Total Pages : 174 pages
Book Rating : 4.:/5 (126 download)
Download or read book Investigation of the Structural, Electronic, and Thermoelectric Properties of Mono- Chalcogenides written by Aida Sheibani and published by . This book was released on 2020 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structural, electronic, and thermoelectric properties of GeTe are studied using density functional theory and Boltzmann transport equations. This material has a rhombohedral crystal structure in ambient temperature with a ferroelectric behavior due to lack of inversion symmetry. This study suggests that the presence of asymmetry in GeTe can lead to an improvement in the thermoelectric properties of this material. In addition, studies on introducing Group III, IV, and V dopants to GeSe show that while these impurities can improve the power factor and decrease the lattice thermal conductivity, they cannot enhance the figure of merit.
Author :
Publisher :
ISBN 13 :
Total Pages : 840 pages
Book Rating : 4.F/5 ( download)
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2009 with total page 840 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Academic Press
ISBN 13 : 0080540988
Total Pages : 317 pages
Book Rating : 4.0/5 (85 download)
Download or read book Recent Trends in Thermoelectric Materials Research, Part Two written by and published by Academic Press. This book was released on 2000-10-25 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since its inception in 1966, the series of numbered volumes known as Semiconductors and Semimetals has distinguished itself through the careful selection of well-known authors, editors, and contributors. The Willardson and Beer series, as it is widely known, has succeeded in producing numerous landmark volumes and chapters. Not only did many of these volumes make an impact at the time of their publication, but they continue to be well-cited years after their original release. Recently, Professor Eicke R. Weber of the University of California at Berkeley joined as a co-editor of the series. Professor Weber, a well-known expert in the field of semiconductor materials, will further contribute to continuing the series' tradition of publishing timely, highly relevant, and long-impacting volumes. Some of the recent volumes, such as Hydrogen in Semiconductors, Imperfections in III/V Materials, Epitaxial Microstructures, High-Speed Heterostructure Devices, Oxygen in Silicon, and others promise that this tradition will be maintained and even expanded.Thermoelectric materials may be used for solid state refrigeration or power generation applications via the large Peltier effect in these materials. To be an effective thermoelectric material, a material must possess a large Seebeck coefficient, a low resistivity and a low thermal conductivity. Due to increased need for alternative energy sources providing environmentally friendly refrigeration and power generation, thermoelectric materials research experienced a rebirth in the mid 1990's. Semiconductors and Semimetals, Volume 70: Recent Trends in Thermoelectric Materials Research: Part Two provides an overview of much of this research in thermoelectric materials during the decade of the 1990's. New materials and new material concepts such as quantum well and superlattice structures gave hope to the possibilities that might be achieved. An effort was made to focus on these new materials and not on materials such as BiTe alloys, since such recent reviews are available. Experts in the field who were active researchers during this period were the primary authors to this series of review articles. This is the most complete collection of review articles that are primarily focussed on new materials and new concepts that is existence to date.
