This title appears in the Scientific Report :
2016
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.93.195155 in citations.
Please use the identifier: http://hdl.handle.net/2128/11256 in citations.
Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors143
Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors143
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the GW approximation within the framework of the FLAPW method, we study the quasiparticle band structure of a number of such compounds being al...
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Personal Name(s): | Tas, Murat (Corresponding author) |
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Sasioglu, Ersoy / Galanakis, I. / Friedrich, Christoph / Blügel, Stefan | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 |
Published in: | Physical Review B Physical review / B, 93 93 (2016 2016) 19 19, S. 195155 195155 |
Imprint: |
College Park, Md.
APS
2016
|
DOI: |
10.1103/PhysRevB.93.195155 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/11256 in citations.
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the GW approximation within the framework of the FLAPW method, we study the quasiparticle band structure of a number of such compounds being almost gapless semiconductors. We find that in contrast to the sp-electron based semiconductors such as Si and GaAs, in these systems, the many-body corrections have a minimal effect on the electronic band structure and the energy band gap increases by less than 0.2 eV, which makes the starting point density functional theory (DFT) a good approximation for the description of electronic and optical properties of these materials. Furthermore, the band gap can be tuned either by the variation of the lattice parameter or by the substitution of the sp-chemical element. |