Strongly Correlated Electrons on a Silicon Surface: Theory of a Mott Insulator

Physics – Condensed Matter – Materials Science

Scientific paper

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4 pages; 4 figures included in text; Revtex

Scientific paper

10.1103/PhysRevLett.83.1003

We demonstrate theoretically that the electronic ground state of the potassium-covered Si(111)-B surface is a Mott insulator, explicitly contradicting band theory but in good agreement with recent experiments. We determine the physical structure by standard density-functional methods, and obtain the electronic ground state by exact diagonalization of a many-body Hamiltonian. The many-body conductivity reveals a Brinkman-Rice metal-insulator transition at a critical interaction strength; the calculated interaction strength is well above this critical value.

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