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| 001 | 16690 | ||
| 005 | 20230426083027.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.84.085144 |2 DOI |
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| 024 | 7 | _ | |a 2128/10918 |2 Handle |
| 037 | _ | _ | |a PreJuSER-16690 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Sakuma, R. |b 0 |
| 245 | _ | _ | |a GW calculations including spin-orbit coupling: Application to Hg chalcogenides |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2011 |
| 300 | _ | _ | |a 085144 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
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| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
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| 440 | _ | 0 | |0 4919 |a Physical Review B |v 84 |x 1098-0121 |y 8 |
| 500 | _ | _ | |3 POF3_Assignment on 2016-02-29 |
| 500 | _ | _ | |a Fruitful discussions with G. Bihlmayer are gratefully acknowledged. This work was supported by "Materials Design through Computics: Complex Correlation and Non-Equilibrium Dynamics,' A Grant in Aid for Scientific Research on Innovative Areas, and the Global Center-of-Excellence program (G-03) of MEXT Japan. We further acknowledge financial support from the Deutsche Forschungsgemeinschaft through the Priority Program 1145. Part of the calculations were performed at the Supercomputer Center of ISSP, Japan. |
| 520 | _ | _ | |a We present self-energy calculations for Hg chalcogenides (HgX, X = S, Se, and Te) with inverted band structures using an explicit spin-dependent formulation of the GW approximation. Spin-orbit coupling is fully taken into account in calculating the single-particle Green function G and the screened interaction W. We have found, apart from an upward shift of the occupied conductionlike Gamma(6) state by about 0.7 eV, an enhancement of spin-orbit splitting by about 0.1 eV, in good agreement with experiment. This renormalization originates mainly from spin-orbit induced changes in G rather than W, which is affected only little by spin-orbit coupling. |
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| 773 | 1 | 8 | |a 10.1103/physrevb.84.085144 |b American Physical Society (APS) |d 2011-08-30 |n 8 |p 085144 |3 journal-article |2 Crossref |t Physical Review B |v 84 |y 2011 |x 1098-0121 |
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| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.84.085144 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/16690/files/PhysRevB.84.085144.pdf |y OpenAccess |
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