Computational Quantum Mechanics for Materials Engineers PDF Download

Author: Levente Vitos
Publisher: Springer Science & Business Media
ISBN: 1846289513
Category : Technology & Engineering
Languages : en
Pages : 237

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Book Description
This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.

Author: David A. B. Miller
Publisher: Cambridge University Press
ISBN: 1139471279
Category : Technology & Engineering
Languages : en
Pages : 575

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Book Description
If you need a book that relates the core principles of quantum mechanics to modern applications in engineering, physics, and nanotechnology, this is it. Students will appreciate the book's applied emphasis, which illustrates theoretical concepts with examples of nanostructured materials, optics, and semiconductor devices. The many worked examples and more than 160 homework problems help students to problem solve and to practise applications of theory. Without assuming a prior knowledge of high-level physics or classical mechanics, the text introduces Schrödinger's equation, operators, and approximation methods. Systems, including the hydrogen atom and crystalline materials, are analyzed in detail. More advanced subjects, such as density matrices, quantum optics, and quantum information, are also covered. Practical applications and algorithms for the computational analysis of simple structures make this an ideal introduction to quantum mechanics for students of engineering, physics, nanotechnology, and other disciplines. Additional resources available from www.cambridge.org/9780521897839.

Author: Albert T. Fromhold
Publisher: Courier Corporation
ISBN: 0486164691
Category : Science
Languages : en
Pages : 450

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Book Description
For upper-level undergraduates and graduate students: an introduction to the fundamentals of quantum mechanics, emphasizing aspects essential to an understanding of solid-state theory. Numerous problems (and selected answers), projects, exercises.

Author: Efthimios Kaxiras
Publisher: Cambridge University Press
ISBN: 0521117119
Category : Science
Languages : en
Pages : 679

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Book Description
An accessible overview of the concepts and tools essential to the physics of materials, with applications, exercises, and color figures.

Author: Peter Deák
Publisher: John Wiley & Sons
ISBN: 3527413553
Category : Science
Languages : de
Pages : 220

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Book Description
Quantum mechanics (QM) is latently present in the life of electrical engineers already, since the hardware of todays information technology - from electrical data processing, through interconversion of electronic and optical information, to data storage and visualization - works on QM principles. New developments in micro- and opto-electronics and the advent of quantum information processing will soon make the active understanding of QM unavoidable for engineers, too. Unfortunately, the principles of QM can only be formulated mathematically, so even introductory books on the subject are mostly rather abstract. This book, written mainly for BSc students, tries to help the reader by showing "QM in action", demonstrating its surprising effects directly in applications, like lighting technology, lasers, photo- and solar cells, flash memories and quantum bits. While the axioms and basic concepts of quantum mechanics are introduced without compromises, the math is kept at a level which is required from electrical engineers anyhow. Computational work is spared by the use of Applets which also visualize the results. Among the host of other didactic features are learning objectives, chapter summaries, self-testing questions, and problems with solutions, while two appendices summarize the knowledge in classical physics and mathematics which is needed for this book.

Author: June Gunn Lee
Publisher: CRC Press
ISBN: 1000005232
Category : Science
Languages : en
Pages : 376

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Book Description
This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.

Author: M P Anantram (Anant)
Publisher: World Scientific
ISBN: 9811274401
Category : Science
Languages : en
Pages : 739

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Book Description
This introductory book is aimed at students of engineering and material science who want to learn the necessary toolboxes of practical quantum mechanics. The authors have made sure that all the calculations are complete, and they have avoided the usage of the familiar phrase, 'it can be easily shown' while being mathematically rigorous. Knowledge of the sophomore level introduction to ordinary differential equations is all that is needed. Well-designed and modern examples help the reader grasp and digest the concept before moving to the next one. The book offers a lucid exposition to the modern field of quantum computing and quantum gates, two-level systems, orbitals, spin, periodic solids, tunneling, and Fermi golden rule. The basics of electronic and optical properties of nanomaterials using the basics of quantum mechanics are presented without the reader getting lost in research articles with different notations and units.There are numerous examples in the book covering topics such as carbon nanotubes, graphene, superconducting qubits, principle of scanning tunneling microscopy, heterostructure based terahertz generation and negative differential resistance device, quantized LC circuit, Grover's search algorithm, phase kickback, quantum dots, well, nanowires, quantum of conductance, ballistic conductor, spin-orbit coupling, and spin transistor. Authors use analogies based on familiar engineering concepts wherever possible to broaden the view of the reader. The philosophy behind the book is teaching by showing how it is done and using 'pictures' which is worth 1000 words.

Author: James R. Chelikowsky
Publisher: Springer Science & Business Media
ISBN: 9780792396666
Category : Science
Languages : en
Pages : 580

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Book Description
A Festschrift in honor of Professor Marvin L. Cohen This volume is a Festschrift in honor of Professor Marvin L. Cohen. The articles, contributed by leading researchers in condensed matter physics, high-light recent advances in the use of quantum theory to explain and predict properties of real materials. The invention of quantum mechanics in the 1920's provided detailed descriptions of the electronic structure of atoms. However, a similar understanding of solids has been achieved only in the past 30 years, owing to the complex electron-ion and electron electron interactions in these systems. Professor Cohen is a central figure in this achievement. His development of the pseudopotential and total energy methods provided an alternate route using computers for the exploration of solids and new materials even when they have not yet been synthesized. Professor Cohen's contributions to materials theory have been both fundamental and encompassing. The corpus of his work consists of over 500 papers and a textbook. His band structures for semiconductors are used worldwide by researchers in solid state physics and chemistry and by device engineers. Professor Cohen's own use of his theories has resulted in the determination of the electronic structure, optical properties, structural and vibrational properties, and superconducting properties of numerous condensed matter systems including semiconductors, metals, surfaces, interfaces, defects in solids, clusters, and novel materials such as the fullerides and nanotubes.

Author: David Ferry
Publisher: CRC Press
ISBN: 1000316491
Category : Science
Languages : en
Pages : 314

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Book Description
Quantum Mechanics: An Introduction for Device Physicists and Electrical Engineers, Third Edition provides a complete course in quantum mechanics for students of semiconductor device physics and electrical engineering. It provides the necessary background to quantum theory for those starting work on micro- and nanoelectronic structures and is particularly useful for those beginning work with modern semiconductors devices, lasers, and qubits. This book was developed from a course the author has taught for many years with a style and order of presentation of material specifically designed for this audience. It introduces the main concepts of quantum mechanics which are important in everyday solid-state physics and electronics. Each topic includes examples which have been carefully chosen to draw upon relevant experimental research. It also includes problems with solutions to test understanding of theory. Full updated throughout, the third edition contains the latest developments, experiments, and device concepts, in addition to three fully revised chapters on operators and expectations and spin angular momentum, it contains completely new material on superconducting devices and approaches to quantum computing.

Author: Herbert Kroemer
Publisher: Pearson
ISBN:
Category : Science
Languages : en
Pages : 680

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Book Description
This widely anticipated book by a leading expert in the field, is designed to meet the changing quantum mechanics needs of general and applied physicists involved in such areas as solid state research, quantum electronics, materials science, etc. This book uses new and less abstract ways to present formal concepts. For electrical engineers in the semiconductor areas.