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Author: Altynbek Murat
Publisher:
ISBN:
Category : Electric conductivity
Languages : en
Pages : 0
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Book Description
"Ab-initio density functional approach is employed to investigate the structural, optical, and electronic properties of twelve undoped (non)stoichiometric multicomponent oxides with layered structure RAMO4 [R3 =In or Sc, A3 =Al or Ga, and M2 - Ca, Cd, Mg, or Zn], as candidates for novel transparent conducting oxides. The compositional complexity of RAMO4 leads to a wide range of band gaps varying from 2.45eV for InGaCdO4 to 6.29 eV for ScAlMgO4. We find that despite the different band gaps in the constituent binary oxides, namely, 2-4 eV in CdO, In2O3, or AnO; 5-6 eV for Ga2O3 or Sc2O3; and 7-9 eV in CaO, MgO, or Al2O3, the states of all cations contribute to the bottom of the conduction band of RAMO4. We show that this hybrid nature of the conduction band originates from the unusual fivefold atomic coordination of A3+ and M2+ cations and suggests that both structurally and chemically distinct layers of RAMO4 are expected to participate in carrier transport. This is consistent with the obtained isotropic electron effective mass of 0.3-0.5 m[subscript e]. Next, in order to understand the carrier generation mechanism in RAMO4, we have systematically investigated the formation of native point defects in three representative InAMO4 oxides. We find that the donor antisite defect in InGaZnO4 and InAlZnO4 occur in higher concentrations than oxygen vacancies which are major donors in binary oxides. Also in contrast to the binary TCOs, the formation energy of cation vacancies is significantly lower in InAMO4 owing to a large structural relaxation around the defect. As a result, the equilibrium Fermi level is pushed away from the conduction band and deeper into the band gap. The results agree well with the observed dependence of the conductivity on the oxygen partial pressure in InGaZnO4. These systematic investigations provide a significant insight into the role of chemical composition and structural complexity of RAMO4 materials on the carrier generation mechanisms and the resulting properties"--Abstract, leaf iv
Author: Altynbek Murat
Publisher:
ISBN:
Category : Electric conductivity
Languages : en
Pages : 0
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Book Description
"Ab-initio density functional approach is employed to investigate the structural, optical, and electronic properties of twelve undoped (non)stoichiometric multicomponent oxides with layered structure RAMO4 [R3 =In or Sc, A3 =Al or Ga, and M2 - Ca, Cd, Mg, or Zn], as candidates for novel transparent conducting oxides. The compositional complexity of RAMO4 leads to a wide range of band gaps varying from 2.45eV for InGaCdO4 to 6.29 eV for ScAlMgO4. We find that despite the different band gaps in the constituent binary oxides, namely, 2-4 eV in CdO, In2O3, or AnO; 5-6 eV for Ga2O3 or Sc2O3; and 7-9 eV in CaO, MgO, or Al2O3, the states of all cations contribute to the bottom of the conduction band of RAMO4. We show that this hybrid nature of the conduction band originates from the unusual fivefold atomic coordination of A3+ and M2+ cations and suggests that both structurally and chemically distinct layers of RAMO4 are expected to participate in carrier transport. This is consistent with the obtained isotropic electron effective mass of 0.3-0.5 m[subscript e]. Next, in order to understand the carrier generation mechanism in RAMO4, we have systematically investigated the formation of native point defects in three representative InAMO4 oxides. We find that the donor antisite defect in InGaZnO4 and InAlZnO4 occur in higher concentrations than oxygen vacancies which are major donors in binary oxides. Also in contrast to the binary TCOs, the formation energy of cation vacancies is significantly lower in InAMO4 owing to a large structural relaxation around the defect. As a result, the equilibrium Fermi level is pushed away from the conduction band and deeper into the band gap. The results agree well with the observed dependence of the conductivity on the oxygen partial pressure in InGaZnO4. These systematic investigations provide a significant insight into the role of chemical composition and structural complexity of RAMO4 materials on the carrier generation mechanisms and the resulting properties"--Abstract, leaf iv
Author: Buttrey Douglas J
Publisher: World Scientific
ISBN: 9813278595
Category : Science
Languages : en
Pages : 240
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Book Description
This book provides a unique look at the chemistry and properties of complex metal oxides from the perspectives of some of the most active researchers on this class of materials. Applications of complex oxide materials are highly varied. Topics reviewed in this volume include solid-state battery research, the chemistry of transparent conductors, ternary uranium oxides, magnetic perovskites, non-linear optical materials, complex molybdenum-vanadium bronzes and other complex materials used in selective oxidation catalysis. It is written to serve as an introduction to the subject for and those beginning to work on these materials, particularly new graduate students.
Author: Douglas J. Buttrey
Publisher:
ISBN: 9789813278585
Category : SCIENCE
Languages : en
Pages : 238
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Book Description
Author: David S. Ginley
Publisher: Springer Science & Business Media
ISBN: 1441916385
Category : Technology & Engineering
Languages : en
Pages : 537
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Book Description
Transparent conducting materials are key elements in a wide variety of current technologies including flat panel displays, photovoltaics, organic, low-e windows and electrochromics. The needs for new and improved materials is pressing, because the existing materials do not have the performance levels to meet the ever- increasing demand, and because some of the current materials used may not be viable in the future. In addition, the field of transparent conductors has gone through dramatic changes in the last 5-7 years with new materials being identified, new applications and new people in the field. “Handbook of Transparent Conductors” presents transparent conductors in a historical perspective, provides current applications as well as insights into the future of the devices. It is a comprehensive reference, and represents the most current resource on the subject.
Author: Satishchandra Balkrishna Ogale
Publisher: John Wiley & Sons
ISBN: 3527654887
Category : Technology & Engineering
Languages : en
Pages : 478
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Book Description
Functional oxides are used both as insulators and metallic conductors in key applications across all industrial sectors. This makes them attractive candidates in modern technology ? they make solar cells cheaper, computers more efficient and medical instrumentation more sensitive. Based on recent research, experts in the field describe novel materials, their properties and applications for energy systems, semiconductors, electronics, catalysts and thin films. This monograph is divided into 6 parts which allows the reader to find their topic of interest quickly and efficiently. * Magnetic Oxides * Dopants, Defects and Ferromagnetism in Metal Oxides * Ferroelectrics * Multiferroics * Interfaces and Magnetism * Devices and Applications This book is a valuable asset to materials scientists, solid state chemists, solid state physicists, as well as engineers in the electric and automotive industries.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author:
Publisher:
ISBN: 9781441916549
Category :
Languages : en
Pages : 548
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Book Description
Author: David Ginley
Publisher: Springer
ISBN: 9781441916372
Category : Technology & Engineering
Languages : en
Pages : 534
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Book Description
Transparent conducting materials are key elements in a wide variety of current technologies including flat panel displays, photovoltaics, organic, low-e windows and electrochromics. The needs for new and improved materials is pressing, because the existing materials do not have the performance levels to meet the ever- increasing demand, and because some of the current materials used may not be viable in the future. In addition, the field of transparent conductors has gone through dramatic changes in the last 5-7 years with new materials being identified, new applications and new people in the field. “Handbook of Transparent Conductors” presents transparent conductors in a historical perspective, provides current applications as well as insights into the future of the devices. It is a comprehensive reference, and represents the most current resource on the subject.
Author: Marcelo Ornaghi Orlandi
Publisher: Elsevier
ISBN: 0128162791
Category : Technology & Engineering
Languages : en
Pages : 666
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Book Description
Tin Oxide Materials: Synthesis, Properties, and Applications discusses the latest in metal oxides, an emerging area in electronic materials. As more is learned about this important materials system, more functionalities and applications have been revealed. This key reference on the topic covers important material that is ideal for materials scientists, materials engineers and materials chemists who have been introduced to metal oxides as a general category of materials, but want to take the next step and learn more about a specific material. Provides a complete resource on tin oxide materials systems, including in-depth discussions of properties, their synthesis, modelling methods, and applications Presents information on the well-investigated SnO2, but also includes discussions on its emerging stoichiometries, such as SnO and Sn3O4 Includes the most relevant applications in varistors, sensing devices, fuel cells, transistors, biological studies, and much more
Author: Kyu Ho Lee
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
The discovery of novel materials brings diverse scientific opportunities by introducing novel physical phenomena, opening ways to verify and formulate theories, and enabling revolutionary industrial applications. Stabilization of novel structures in complex oxide materials is in particular of strong interest, as these materials display a broad spectrum of physical and chemical properties, along with dramatic variations in the material properties upon subtle changes in their structures. The stabilization of a material is largely governed by thermodynamic variables such as temperature, pressure, and chemical potential. Hence, stabilizing a novel, unconventional material usually requires that one or more of these thermodynamic variables are maintained at values far from the standard conditions. Epitaxial thin film growth, in which the target material is artificially exposed to large effective pressure due to the forced geometrical match with an underlying substrate with different unit cell dimensions, is a well-established example that satisfies this criterion. Another relevant example is ion intercalation, where relatively small ions such as lithium are inserted into a material (usually a two-dimensional van der Waals material) by electrochemically tuning the chemical potential of the ions, thereby changing the material's physical and chemical properties. In this work, I will show that controlled ionic modification via deintercalation can be an effective approach to stabilize novel complex oxides and demonstrate this in two material systems. First, I will discuss the meta-stable formation of IrO$_{x}$ via deintercalation of strontium in SrIrO$_{3}$, which demonstrates high oxygen evolution reaction (OER) activity and good chemical stability in acid. This motivates design strategies for high-activity OER catalysts such as the stabilization of a novel columbite polymorph of IrO$_{2}$, which I demonstrate can be achieved via epitaxial thin film growth. Second, I will show that oxygen deintercalation of perovskite nickelate stabilizes infinite-layer \textit{Ln}NiO$_{2}$ (\textit{Ln} = lanthanide), which upon hole-doping hosts unconventional superconductivity and shows striking similarities in the superconducting phase diagram to that of the cuprates despite marked differences in the two systems. Overall, this work highlights deintercalation as a powerful technique to stabilize novel complex oxides that is widely applicable to various material systems. As this approach has been rather underutilized relative to other conventional methods, there is great potential to further discover novel materials using this technique.
