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Modem materials science is exploiting novel tools of solid-state
physics and chemistry to obtain an unprecedented understanding of
the structure of matter at the atomic level. The direct outcome of
this understanding is the ability to design and fabricate new
materials whose properties are tailored to a given device ap
plication. Although applications of materials science can range
from low weight, high strength composites for the automobile and
aviation industry to biocompat ible polymers, in no other field has
progress been more strikingly rapid than in that of electronic
materials. In this area, it is now possible to predict from first
principles the properties of hypothetical materials and to
construct artificially structured materials with layer-by-Iayer
control of composition and microstruc ture. The resulting
superlattices, multiple quantum wells, and high temperature
superconductors, among others, will dominate our technological
future. A large fraction of the current undergraduate and graduate
students in science and engi neering will be directly involved in
furthering the revolution in electronic mate rials. With this book,
we want to welcome such students to electronic materials research
and provide them with an introduction to this exciting and rapidly
de veloping area of study. A second purpose of this volume is to
provide experts in other fields of solid state physics and
chemistry with an overview of contemporary research within the
field of electronic materials."
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."
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."
We began planning and writing this book in thc late 1970$ at thc
ugge s stion of Manuel Cardona and Helmut Latsch. We also received
considerable eo couragement and stimulation from colleagues. Same
said there was a need for instructional material in tbis area while
others emphasized thc utility of a research text. We tried to
strike a compromise. Thc figures, tables, and rcferences are
included to enable researchcrs to obt81o quickly essential
information in this area of semiconductor research. For instructoTS
and stu dents, we attempt to cover same basic ideas abaut
electronic structure and semiconductor physics with applications to
real, rather than model, solids. Ve \Vish to thank our colleagues
and collaborators whose research rc sults and ideas are presented
here. Special thanks are duc to Jim Phillips who illfluellced lIS
hoth during ollr formative )'ears and afterwards. We are grateful
to Sari Yamagishi for her patience and skill with the typing and
production of the manuscript. Finally, we acknowledge the great
patience of Helmut Lotsch and Manucl Cardona. llerkeley, CA M.L.
Gehen . inncapolis, MN, J.R, Chelikew"ky March 1988 VII Contents 1.
Introduction 1 2. Theoretical Concepts and Methods
.................... . 4 2.1 Thc One-Electron Model and Band
Structure 7 2.2 Properties cf En(k) ......................... . 11
3. Pseudopotentials 16 3.1 The Empirical Pseudopotential Method
.......... 20 3.2 Self-Consistent and Ab Initio Pseudopotentials
...... ..... 25 4. Response Functiolls and Density of States . .."
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