Transport coefficients from first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 12, 2003, Pages

  Scheidemantel, J ^a   Ambrosch Draxl, C ^b   Thonhauser, T ^a   Badding, V ^a   Sofo, O ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF GRAZ   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

BISMUTH; TELLURIUM;

ARTICLE; CALCULATION; ELECTRON TRANSPORT; ENERGY; TEMPERATURE DEPENDENCE; THERMAL ANALYSIS; TRANSPORT KINETICS;

EID: 0242692568     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.125210     Document Type: Article

References (28)

1. D. L. Rode, Transport Phenomena, in Semiconductors and Semimetals, Vol. 10, edited by R. K. Willardson and A. C. Beer (Academic, New York, 1975).
2. C. B. Vining, J. Appl. Phys. 69, 331 (1991).
3. J. O. Sofo, G. D. Mahan, and J. Baars, J. Appl. Phys. 76, 2249 (1994).
4. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
5. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
6. Density Functional Theory, Vol. 337 of NATO Advanced Study Institute, Series B: Physics, edited by E. K. U. Gross and R. M. Dreizler (Plenum, New York, 1995).
7. H. B. Callen, Thermodynamics (Wiley, New York, 1960) Chap. 17.
8. W. E. Bies, R. J. Radtke, H. Ehrenreich, and E. Runge, Phys. Rev. B. 65, 085208 (2002).
9. B. R. Nag, Electron Transport in Compound Semiconductors (Springer Verlag, Berlin, 1980).
10. G. D. Mahan and J. O. Sofo, Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996).
11. G. K. H. Madsen (private communication).
12. C. Ambrosch-Draxl and J. O. Sofo (unpublished).
13. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2 k, An Augmented Plane Wave+Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001). ISBN 3-9501031-1-2.
14. S. Nakajima, J. Phys. Chem. Solids 24, 479 (1963).
15. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
16. D. Singh, Planewaves, Pseudopotentials, and the LAPW Method (Kluwer Academic, Boston, 1994).
17. J. Kuneš, P. Novák, M. Diviš, and P. M. Oppeneer, Phys. Rev. B. 63, 205111 (2001).
18. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B. 49, 16223 (1994).
19. H. J. Goldsmid, Proc. Phys. Soc. London, Sect. B. 69, 203 (1956).
20. R. B. Mallinson, J. A. Rayne, and R. W. UreJr., Phys. Rev. 175, 1049 (1968).
21. V. V. Sologub, A. D. Goletskaya, and R. V. Parfen’ev, Fiz. Tverd. Tela (Leningrad) 14, 914 (1972) [ Sov. Phys. Solid State 14, 783 (1972)].
22. R. Sehr and L. R. Testardi, J. Phys. Chem. Solids 23, 1219 (1962).
23. S. K. Mishra, S. Satpathy, and O. Jepsen, J. Phys.: Condens. Matter 9, 461 (1997).
24. P. Larson, S. D. Mahanti, and M. G. Kanatzidis, Phys. Rev. B. 61, 8162 (2000).
25. S. J. Youn and A. J. Freeman, Phys. Rev. B. 63, 085112 (2001).
26. H. J. Goldsmid, Thermoelectric Refrigeration (Plenum, New York, 1964).
27. J. Nagao, M. Ferhat, E. Hatta, and K. Mukasa, Phys. Status Solidi B. 219, 347 (2000).
28. R. T. Delves, A. E. Bowley, D. W. Hazelden, and H. J. Goldsmid, Proc. Phys. Soc. London 78, 838 (1961).