Electronic structure calculations of PbTe

Journal of Physics and Chemistry of Solids

Volumn 61, Issue 10, 2000, Pages 1639-1645

  Lach Hab, M ^a,b   Keegan, M ^b   Papaconstantopoulos, D A ^b,c   Mehl, M J ^c  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b GEORGE MASON UNIVERSITY   (United States)

^c NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; ELASTIC MODULI; ELECTRIC CONDUCTIVITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; ENERGY GAP; LATTICE CONSTANTS; NUMERICAL METHODS; PRESSURE; PROBABILITY DENSITY FUNCTION;

LEAD TELLURIDE; LINEARIZED AUGMENTED PLANE WAVE; LOCAL DENSITY APPROXIMATION; SLATER-KOSTER FIT; SPIN ORBIT COUPLING; STRAIN ENERGY; TIGHT BINDING HAMILTONIAN FIT;

SEMICONDUCTING LEAD COMPOUNDS;

EID: 0034299860     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3697(00)00045-7     Document Type: Article

References (35)

1. Mitchell D.L., Wallis R.F. Phys. Rev. 151:1966;581.
2. Conklin J.B. Jr., Johnson L.E., Pratt G.W. Phys. Rev. 137:1965;A1282.
3. Rabii S. Phys. Rev. 167:1968;801.
4. Bailey P.T. Phys. Rev. 170:1968;723.
5. Overhof H., Rossler U. Phys. Status Solidi. 37:1970;691.
6. Herman F., Kortum R.L., Ortenburger I.B., Van Dyke J.P. J. Phys. (Paris). 29:1968;c4-62.
7. Martinez G., Schluter M., Cohen M.L. Phys. Rev. B. 11:1975;651.
8. Martinez G., Schluter M., Cohen M.L. Phys. Rev. B. 11:1975;660.
9. Lin P.J., Kleinman K. Phys. Rev. 142:1966;478.
10. Bernick R.L., Kleinman L. Solid State Commun. 8:1970;569.
11. Tung Y.W., Cohen M.L. Phys. Rev. 180:1969;823.
12. Wei S., Zunger A. Phys. Rev. B. 55:1997;13 605-13 610.
13. Andersen O.K. Phys. Rev. B. 12:1975;3060.
14. Singh D., KraKauer H., Wang C.S. Phys. Rev. B. 34:1986;8391.
15. Weinberg I. J. Chem. Phys. 36:1962;1112.
16. Weinberg I. J. Chem. Phys. 39:1963;492.
17. Weinberg I., Callaway J. Nuovo Cimento. 24:1962;190.
18. Nimtz G., Schlicht B. Narrow-Gap Semiconductors. 1985;Springer, New York.
19. Baleva M., Mateeva E. Phys. Rev. B. 50:1994;8893.
20. Zogg H., Fach A., John J., Masek J., Muller P., Paglino C., Buttler W. Opt. Engng. 33:1994;1440.
21. Preier H. Appl. Phys. 20:1979;189.
22. Chaudhuri T.K. Int. J. Engng Res. 16:1992;481.
23. Gibson A.F. Proc. Phys. Soc. B. 65:1952;378.
24. Hedin L., Lundquist B.I. J. Phys. C. 4:1971;2064.
25. Mehl M.J., Osburn J.E., Papaconstantopoulos D.A., Klein B.M. Phys. Rev. B. 41:1990;10 311.
26. Mehl M., Klein B.M., Papaconstantopoulos D.A. Westbrook J.H., Fleischer R.L. Principles. Intermetallic Compounds. 1995;Wiley. (chap. 9).
27. Herman F., Skillman S. Atomic Structure Calculations. 1963;Prentice-Hall, Englewood Cliffs, NJ.
28. Hass K.C., Ehrenreich H., Velicky B. Phys. Rev. B. 27:1983;1088.
29. Slater J.C., Koster G.F. Phys. Rev. 94:1954;1498.
30. Papaconstantopoulos D.A. Handbook of Electronic Structure of Elemental Solids. 1986;Plenum Press, New York.
31. M.A. Keegan, New methodology for computationally efficient electronic structure calculations and database of electronic structure, PhD thesis, George Mason University, Virginia, 1998.
32. Birch F. J. Geophys. Res. 83:1978;1257.
33. Perdew J.P., Zunger A. Phys. Rev. B. 23:1981;5048.
34. Jansen H.J.F., Freeman A.J. Phys. Rev. B. 30:1984;561.
35. Godby R.W., Schulter M., Sham L.J. Phys. Rev. B. 36:1987;6497.