Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation
Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with th...
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| Autor*in: |
Nekrasov, I. A. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2013 |
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| Schlagwörter: |
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| Anmerkung: |
© Pleiades Publishing, Inc. 2013 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of experimental and theoretical physics - Springer US, 1993, 117(2013), 5 vom: Nov., Seite 926-932 |
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| Übergeordnetes Werk: |
volume:117 ; year:2013 ; number:5 ; month:11 ; pages:926-932 |
| Links: |
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| DOI / URN: |
10.1134/S1063776113130165 |
|---|
| Katalog-ID: |
OLC2043168185 |
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| 520 | |a Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. | ||
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| 650 | 4 | |a Hole Doping | |
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| 650 | 4 | |a Doping Dependence | |
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| 700 | 1 | |a Pavlov, N. S. |4 aut | |
| 700 | 1 | |a Sadovskii, M. V. |4 aut | |
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10.1134/S1063776113130165 doi (DE-627)OLC2043168185 (DE-He213)S1063776113130165-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Nekrasov, I. A. verfasserin aut Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation 2013 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2013 Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. Fermi Level Hole Doping Renormalization Factor Doping Dependence Orbital Character Pavlov, N. S. aut Sadovskii, M. V. aut Enthalten in Journal of experimental and theoretical physics Springer US, 1993 117(2013), 5 vom: Nov., Seite 926-932 (DE-627)131188410 (DE-600)1146369-7 (DE-576)032622368 1063-7761 nnns volume:117 year:2013 number:5 month:11 pages:926-932 https://doi.org/10.1134/S1063776113130165 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_22 GBV_ILN_70 GBV_ILN_2185 33.00 VZ AR 117 2013 5 11 926-932 |
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10.1134/S1063776113130165 doi (DE-627)OLC2043168185 (DE-He213)S1063776113130165-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Nekrasov, I. A. verfasserin aut Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation 2013 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2013 Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. Fermi Level Hole Doping Renormalization Factor Doping Dependence Orbital Character Pavlov, N. S. aut Sadovskii, M. V. aut Enthalten in Journal of experimental and theoretical physics Springer US, 1993 117(2013), 5 vom: Nov., Seite 926-932 (DE-627)131188410 (DE-600)1146369-7 (DE-576)032622368 1063-7761 nnns volume:117 year:2013 number:5 month:11 pages:926-932 https://doi.org/10.1134/S1063776113130165 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_22 GBV_ILN_70 GBV_ILN_2185 33.00 VZ AR 117 2013 5 11 926-932 |
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10.1134/S1063776113130165 doi (DE-627)OLC2043168185 (DE-He213)S1063776113130165-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Nekrasov, I. A. verfasserin aut Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation 2013 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2013 Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. Fermi Level Hole Doping Renormalization Factor Doping Dependence Orbital Character Pavlov, N. S. aut Sadovskii, M. V. aut Enthalten in Journal of experimental and theoretical physics Springer US, 1993 117(2013), 5 vom: Nov., Seite 926-932 (DE-627)131188410 (DE-600)1146369-7 (DE-576)032622368 1063-7761 nnns volume:117 year:2013 number:5 month:11 pages:926-932 https://doi.org/10.1134/S1063776113130165 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_22 GBV_ILN_70 GBV_ILN_2185 33.00 VZ AR 117 2013 5 11 926-932 |
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10.1134/S1063776113130165 doi (DE-627)OLC2043168185 (DE-He213)S1063776113130165-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Nekrasov, I. A. verfasserin aut Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation 2013 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2013 Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. Fermi Level Hole Doping Renormalization Factor Doping Dependence Orbital Character Pavlov, N. S. aut Sadovskii, M. V. aut Enthalten in Journal of experimental and theoretical physics Springer US, 1993 117(2013), 5 vom: Nov., Seite 926-932 (DE-627)131188410 (DE-600)1146369-7 (DE-576)032622368 1063-7761 nnns volume:117 year:2013 number:5 month:11 pages:926-932 https://doi.org/10.1134/S1063776113130165 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_22 GBV_ILN_70 GBV_ILN_2185 33.00 VZ AR 117 2013 5 11 926-932 |
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10.1134/S1063776113130165 doi (DE-627)OLC2043168185 (DE-He213)S1063776113130165-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Nekrasov, I. A. verfasserin aut Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation 2013 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2013 Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. Fermi Level Hole Doping Renormalization Factor Doping Dependence Orbital Character Pavlov, N. S. aut Sadovskii, M. V. aut Enthalten in Journal of experimental and theoretical physics Springer US, 1993 117(2013), 5 vom: Nov., Seite 926-932 (DE-627)131188410 (DE-600)1146369-7 (DE-576)032622368 1063-7761 nnns volume:117 year:2013 number:5 month:11 pages:926-932 https://doi.org/10.1134/S1063776113130165 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_22 GBV_ILN_70 GBV_ILN_2185 33.00 VZ AR 117 2013 5 11 926-932 |
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doping dependence of correlation effects in $ k_{1 − x} $$ fe_{2 − y} $$ se_{2} $ superconductors: lda’ + dmft investigation |
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Doping dependence of correlation effects in $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductors: LDA’ + DMFT investigation |
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Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. © Pleiades Publishing, Inc. 2013 |
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Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. © Pleiades Publishing, Inc. 2013 |
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Abstract We present a detailed LDA’ + DMFT investigation of the doping dependence of correlation effects in the novel $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ superconductor. Calculations are performed at four different hole doping levels, starting from a hypothetical stoichiometric composition with the total number of electrons equal to 29 per unit cell through 28 and 27.2 electrons toward the case of 26.52, which corresponds to the chemical composition $ K_{0.76} $$ Fe_{1.72} $$ Se_{2} $ studied in recent ARPES experiments. In the general case, the increase in hole doping leads to quasiparticle bands in a wide energy window ±2 eV around the Fermi level becoming more broadened by lifetime effects, while correlation-induced compression of Fe-3d LDA’ bandwidths stays almost the same, of the order of 1.3 for all hole concentrations. However, close to the Fermi level, the situation is more complicated. In the energy interval from −1.0 eV to 0.4 eV, the bare Fe-3d LDA’ bands are compressed by significantly larger renormalization factors up to 5 with increased hole doping, while the value of Coulomb interaction remains the same. This fact manifests the increase in correlation effects with hole doping in the $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ system. Moreover, in contrast to typical pnictides, $ K_{1 − x} $$ Fe_{2 − y} $$ Se_{2} $ does not have well-defined quasiparticle bands on the Fermi levels, but has a “pseudogap”-like dark region instead. We also find that with the growth of hole doping, Fe-3d orbitals of various symmetries are affected by correlations differently in different parts of the Brillouin zone. To illustrate this, we determine the quasiparticle mass renormalization factors and energy shifts that transform the bare Fe-3d LDA’ bands of various symmetries into LDA’ + DMFT quasiparticle bands. These renormalization factors effectively mimic more complicated energy-dependent self-energy effects and can be used to analyze the available ARPES data. © Pleiades Publishing, Inc. 2013 |
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