Comparing quasiparticleGW+DMFT and LDA+DMFT for the test bed material SrVO3
| Autor: | Karsten Held, Georg Kresse, Giorgio Sangiovanni, Merzuk Kaltak, Alessandro Toschi, Ciro Taranto, Nicolaus Parragh |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Condensed Matter::Quantum Gases
Physics Condensed matter physics Side band 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Projection (linear algebra) Spectral line Electronic Optical and Magnetic Materials Atomic orbital Quantum mechanics 0103 physical sciences Quasiparticle Condensed Matter::Strongly Correlated Electrons Strongly correlated material Local-density approximation 010306 general physics 0210 nano-technology Random phase approximation |
| Zdroj: | Physical Review B. 88 |
| ISSN: | 1550-235X 1098-0121 |
| DOI: | 10.1103/physrevb.88.165119 |
| Popis: | aK otaniSchilfgaarde is employed, and the interaction values are obtained from the locally unscreened random phase approximation (RPA) using a projection onto Wannier orbitals. We compare quasiparticle GW +DMFT and local density approximation (LDA) +DMFT against each other and against experiment for SrVO3. We observe a partialcompensationofstrongerelectroniccorrelationsduetothereduced GW bandwidthandweakercorrelations due to a larger screening of the RPA interaction, so that the obtained spectra are quite similar and agree well with experiment. Noteworthy, the quasiparticle GW +DMFT better reproduces the position of the lower Hubbard side band. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|