Saltar al contenido principal
Elsevier

Calculated Electronic Properties of Metals

  • 1 Edición - 1 de enero de 1978
  • Última edición
  • Autores: V. L. Moruzzi, J. F. Janak, A. R. Williams
  • Idioma: Inglés

Calculated Electronic Properties of Metals covers the significant advances in understanding of condensed systems containing many atoms. This book is divided into five chapters… Leer más

Descripción

Calculated Electronic Properties of Metals covers the significant advances in understanding of condensed systems containing many atoms. This book is divided into five chapters that specifically present electronic property calculations based on three fundamental approximations, namely, the local density treatment of electronic exchange and correlation, the "muffin-tin" approximation, and the neglect of relativistic effects. These approximations limit the range of systems for which these calculations can be expected to be accurate to metals comprised of atoms possessing fewer that approximately 50 protons. A chapter focuses on the calculation of electron and state densities of numerous metals. The concluding chapter describes the results of spin-polarized energy-band calculations for iron, cobalt, and nickel. This book will prove useful to chemists, researchers, and students.

Índice


Preface

Chapter I Introduction

1. Treatment of Exchange and Correlation

2. Density Functional Theory

Chapter II Calculations

1. Self-consistent Solid Calculations

2. Free Atom Calculation

3. Total Energy

4. Density of States

5. Susceptibility Enhancement

Chapter III Trends

Chapter IV Electron and State Densities

1. Hydrogen

2. Lithium

3. Beryllium

4. Sodium

5. Magnesium

6. Aluminum

7. Potassium

8. Calcium

9. Scandium

10. Titanium

11. Vanadium

12. Chromium

13. Manganese

14. Iron

15. Cobalt

16. Nickel

17. Copper

18. Zinc

19. Gallium

20. Rubidium

21. Strontium

22. Yttrium

23. Zirconium

24. Niobium

25. Molybdenum

26. Technetium

27. Ruthenium

28. Rhodium

29. Palladium

30. Silver

31. Cadmium

32. Indium

Chapter V Effects of Spin Polarization

1. Spin-polarized Calculations

2. General Description of Results and Trends

3. Detailed Calculations

Iron

Cobalt

Nickel

References

Detalles del producto

  • Edición: 1
  • Última edición
  • Publicado: 22 de octubre de 2013
  • Idioma: Inglés

Ver libro en ScienceDirect

Lee Calculated Electronic Properties of Metals en ScienceDirect