Computational Solid State Physics

1. Front Matter

   Pages i-xiv

   PDF

2. Experimental Studies of the Electronic Structure of Crystals

   1. Front Matter

      Pages 1-1

      PDF

   2. Introductory Remarks

      • Otfried Madelung

      Pages 3-5

   3. Spatial Dispersion Induced Birefringence in Cubic Semiconductors

      • P. Y. Yu, Manuel Cardona

      Pages 7-21

   4. Photoemission Studies of the Electronic Structure of Solids

      • D. E. Eastman, A. R. Williams

      Pages 23-42

   5. Investigation of Inner Shell Excitations in Solids by Synchrotron Radiation

      • Ruprecht Haensel, Bernd Sonntag

      Pages 43-57

   6. Positron Annihilation Experiments and the Band Structure of V3Si

      • S. Berko, M. Weger

      Pages 59-77

3. Theoretical Studies of the Electronic Structure of Crystals

   1. Front Matter

      Pages 79-79

      PDF

   2. Introductory Remarks

      • N. W. Dalton

      Pages 81-83

   3. Empirical Band Calculations

      • Joachim Treusch

      Pages 85-98

   4. On the Theory of Metallic Lithium

      • T. Schneider, E. Stoll

      Pages 99-112

   5. Generalizations of the Relativistic OPW Method Including Overlapping and Non-Overlapping Atomic Orbitals

      • N. W. Dalton

      Pages 113-141

   6. MAPW-Calculations with Screened Exchange. Application to Copper

      • H. Bross, H. Stöhr

      Pages 143-154

   7. Some Remarks on Current RAPW Calculations for Silver, Molybdenum, and Vanadium

      • Niels Egede Christensen

      Pages 155-160

   8. Recent KKR Band Calculations

      • Ulrich Rössler

      Pages 161-174

   9. The Atomic Arrangements and Radial Distribution Functions of Amorphous Silicon and Germanium

      • Douglas Henderson

      Pages 175-177

   10. Optical Properties of Polytypes of Germanium

       • W. E. Rudge, I. B. Ortenburger

       Pages 179-181

   11. Charge Density in the Gallium Arsenide Crystal

       • N. W. Dalton, D. E. Schreiber

       Pages 183-188

4. Treatment of Exchange and Correlation Effects in Crystals

   1. Front Matter

      Pages 189-189

      PDF

   2. Introductory Remarks

      • Per-Olov Löwdin

      Pages 191-204

During the past 20 years, solid state physics has become one of the major branches of physics. 1-2 Today over one-third of all scientific articles published in physics deal with solid state 3 topics. During the last two decades, there has also been ra~id growth of scientific computation in a wide variety of fields. -5 The combination of solid state physics and comp~tation may be termed computational solid state physics. This emerging field is distin­ guished from theoretical solid state physics only to the extent that electronic computers rather than slide rules or backs of envelopes are used to solve numerical or logical problems, test scientific hypotheses, and discover the essential physical content of formal mathematical theories. Papers in computational solid state physics are widely scatter­ ed in the literature. They can be found in the traditional physics journals and review series, such as The Physical Review and Solid State Physics; in more specialized publications, such as Journal of Computational Physics, Computer Physics Communications, and Methods in Computational Physics; and in the proceedings of a number of re­ 6 9 cent conferences and seminar courses. - Plans for holding an International Symposium on Computational Solid State Physics in early October 1971 were formulated by Dr.

• band structure
• computational physics
• crystal
• dispersion
• electron
• fields
• growth
• lattice dynamics
• paper
• physics
• scattering
• semiconductor
• solid state physics

• Large-Scale Scientific Computations Department, IBM Research Laboratory, San Jose, USA

  Frank Herman, Norris W. Dalton, Thomas R. Koehler

Policies and ethics