|
Volume : III, Issue : VIII, September - 2013 Density of State And Effective Mass From Pseudo Potential Theory Raj Kumar DOI : 10.9780/22307850, Published By : Laxmi Book Publication Abstract : The empirical pseudopotential method was developed in the 1960’s [1-3] as a way to solve Schrodinger’s equation for bulk crystals without knowing exactly the potential experienced by an electron in the lattice. Since electrons are interacting with the crystal lattice, an electronic band structure calculation is a many body problem (unlike the situation in photonic crystal calculations, for example [4]). Although other methods existed at the time for approximating electronic band structures, the pseudopotential method gives surprisingly accurate results considering the computing time and effort involved. Keywords : Article : Cite This Article : Raj Kumar, (2013). Density of State And Effective Mass From Pseudo Potential Theory. Indian Streams Research Journal, Vol. III, Issue. VIII, DOI : 10.9780/22307850, http://oldisrj.lbp.world/UploadedData/3047.pdf References : - Schwerdtfeger, P. (August 2011), "The Pseudopotential Approximation in Electronic Structure Theory", ChemPhysChem, doi:10.1002/cphc.201100387
- Louie, Steven G.; Froyen, Sverre; Cohen, Marvin L. (August 1982), "Nonlinear ionic pseudopotentials in spin-density-functional calculations", Physical Rev. B (American Physical Society) 26 (4): 1738–1742, Bibcode:1982PhRvB..26.1738L,doi:10.1103/PhysRevB.26.1738
- Reis, Carlos L.; Pacheco, J. M.; Martins, José Luís (October 2003), "First-principles norm-conserving pseudopotential with explicit incorporation of semicore states", Physical Review B (American Physical Society) 68 (15): 155111,Bibcode:2003PhRvB..68o5111R, doi:10.1103/PhysRevB.68.155111
- Bachelet, G. B.; Hamann, D. R.; Schlüter, M. (October 1982), "Pseudopotentials that work: From H to Pu", Physical Review B (American Physical Society) 26 (8): 4199–4228, Bibcode:1982PhRvB..26.4199B, doi:10.1103/PhysRevB.26.4199
|
Article Post Production
Article Indexed In
|