2013Physical Review BOpen access

Effects of momentum-dependent self-energy in the electronic structure of correlated materials

Takashi Miyake, Cyril Martins, Rei Sakuma, F. Aryasetiawan

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Abstract

We study how the $\mathbf{k}$ dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on $\mathbf{k}$ and there is a strong cancellation between the $\mathbf{k}$ dependence and the energy dependence of the self-energy. Analysis of the $GW$ self-energy reveals that, even in correlated materials with narrow bands, such as ${\mathrm{SrVO}}_{3}$, the self-energy significantly depends on $\mathbf{k}$. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and the k dependence in the self-energy is important when discussing the quasiparticle band structure of correlated materials.

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We study how the $\mathbf{k}$ dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on $\mathbf{k}$ and there is a strong cancellation between the $\mathbf{k}$ dependence and the energy dependence of the self-energy. Analysis of the $GW$ self-energy reveals that, even in correlated materials with narrow bands, such as ${\mathrm{SrVO}}_{3}$, the self-energy significantly depends on $\mathbf{k}$. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and the k dependence in the self-energy is important when discussing the quasiparticle band structure of correlated materials.

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Available abstract

We study how the $\mathbf{k}$ dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on $\mathbf{k}$ and there is a strong cancellation between the $\mathbf{k}$ dependence and the energy dependence of the self-energy. Analysis of the $GW$ self-energy reveals that, even in correlated materials with narrow bands, such as ${\mathrm{SrVO}}_{3}$, the self-energy significantly depends on $\mathbf{k}$. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and the k dependence in the self-energy is important when discussing the quasiparticle band structure of correlated materials.

Key concepts: Quasiparticle, Self-energy, Physics, GW approximation, Electronic band structure, Energy (signal processing), Effective mass (spring–mass system), Condensed matter physics

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