A new workflow uses GW-derived ionization potentials and electron affinities, quasiparticle renormalization for polarization, the integer charge transfer model for pinning, and electrostatic potential shifts to predict adsorbate energy alignment on oxide/metal substrates.
Harnessing the Quantum Behavior of Spins on Surfaces
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The paper reviews theoretical mechanisms, experimental validations, and applications of ESR-STM for atomic-scale spin control over the past decade.
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An ab initio approach to energy alignment and charge-state prediction of adsorbates on ultrathin insulators
A new workflow uses GW-derived ionization potentials and electron affinities, quasiparticle renormalization for polarization, the integer charge transfer model for pinning, and electrostatic potential shifts to predict adsorbate energy alignment on oxide/metal substrates.
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Theory of Electron Spin Resonance Scanning Tunneling Microscopy: The First Decade
The paper reviews theoretical mechanisms, experimental validations, and applications of ESR-STM for atomic-scale spin control over the past decade.