Altermagnetism from interaction-driven itinerant magnetism

Physical review. B./Physical review. B, Год журнала: 2025, Номер 111(2)

Опубликована: Янв. 3, 2025

Язык: Английский

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Revealing spinons by proximity effect

Physical review. B./Physical review. B, Год журнала: 2025, Номер 111(12)

Опубликована: Март 5, 2025

The ghost-Gutzwiller variational wave function within the Gutzwiller approximation is shown to stabilize a genuine paramagnetic Mott insulator in half-filled single-band Hubbard model. This phase hosts quasiparticles that are crucial response without showing up single-particle spectrum, and, as such, they can be legitimately regarded an example of Anderson's spinons. We demonstrate these spinons at interface with metal reacquire charge by proximity effect and thus reemerge spectrum heavy-fermion band.

Язык: Английский

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Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles

The Journal of Chemical Physics, Год журнала: 2024, Номер 161(12)

Опубликована: Сен. 23, 2024

In recent studies by Yalouz et al. [J. Chem. Phys. 157, 214112 (2022)] and Sekaran [Phys. Rev. B 104, 035121 (2021) Computation 10, 45 (2022)], density matrix embedding theory (DMET) has been reformulated through the use of Householder transformation as a novel tool to embed fragment within extended systems. The was applied reference non-interacting one-electron reduced construct fragments' bath orbitals, which are crucial for subsequent ground state calculations. present work, we expand upon these previous developments extend utilization description multiple electronic states, including excited states. Based on an ensemble noninteracting matrix, demonstrate feasibility achieving exact successive transformations, resulting in larger set orbitals. We analytically prove that number additional orbitals scales directly with fractionally occupied natural matrix. A connection regular DMET construction is also made. Then, illustrate this single-shot calculations describe both first states Hubbard lattice model ab initio hydrogen system. Finally, discuss avenues enhancing self-consistency explore potential future directions.

Язык: Английский

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Embedding Correlated Electrons in a Multipurpose Bath

Physics, Год журнала: 2024, Номер 17

Опубликована: Ноя. 20, 2024

Язык: Английский

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