期刊
PHYSICAL REVIEW B
卷 88, 期 23, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.235110
关键词
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资金
- Swedish Research Council
- MEXT, Japan
- Scandinavia-Japan Sasakawa Foundation
- SNF Grant [200021_140648]
We present a detailed calculation of the electronic structure of SrVO3 based on the GW + DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasiparticle band structure and satellite features of SrVO3. The GW + DMFT results for SrVO3 are not attainable within the GW approximation or the LDA + DMFT scheme. We also compare the results of GW + DMFT to DMFT calculations based on the GW quasiparticle bands.
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