First-Principles Theory of Ferromagneticand Antiferromagnetic Order

L. Fritsche and B. Weimert
 Institut fu» r Theoretische Physik B, Technische Universita» t Clausthal,D-38678 Clausthal-Zellerfeld, Germany

 (Received August 1, 1997; in revised form February 18, 1998)

 Contents

1. Introduction

2. General aspects and relation to earlier work 

3. Energy gain in an N-electron system by setting up spin order

4. Reducing the problem of spin-ordered N-electron systems to a one-particle problem 

5. Method of systematically improving the approximation to the exchange± correla-tion energy 

6. Transition from the paramagnetic to the spin-ordered case: energy balance 

7. Spin order in atoms: a simple case

8. Crucial criterion for the occupation numbers in the ground state

9. Ferromagnetic order in solids 

10. Ferromagnetic order in molten metals 

11. Antiferromagnetic order 

12. Results 

13. Conclusions

 References

http://www.lothar-fritsche.de/pdf/phys-stat-sol.pdf