The modern expressions for polarization P and orbital magnetization M are k-space integrals. But a genuine bulk property should also be expressible in r space, as an unambiguous function of the ground-state density matrix, “nearsighted” in insulators, independently of the boundary conditions—either periodic or open. While P—owing to its “quantum” indeterminacy—is not a bulk property in this sense, M is. We provide its r-space expression for any insulator, even with a nonzero Chern invariant. Simulations on a model Hamiltonian validate our theory.

Orbital Magnetization as a Local Property

BIANCO, RAFFAELLO;RESTA, Raffaele
2013

Abstract

The modern expressions for polarization P and orbital magnetization M are k-space integrals. But a genuine bulk property should also be expressible in r space, as an unambiguous function of the ground-state density matrix, “nearsighted” in insulators, independently of the boundary conditions—either periodic or open. While P—owing to its “quantum” indeterminacy—is not a bulk property in this sense, M is. We provide its r-space expression for any insulator, even with a nonzero Chern invariant. Simulations on a model Hamiltonian validate our theory.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11368/2719287
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