Optical properties and electronic structure of the nonmetallic metal FeCrAs
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75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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Results for “electronic structure”
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Charge transfer across transition-metal oxide interfaces: Emergent conductance and electronic structure
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Chen, Hanghui↗
Electronic structure and the origin of the high ordering temperature in SrRu 2 O 6
SrRu 2 O 6 is a layered honeycomb-lattice material with an extraordinarily high magnetic ordering temperature. We investigated this material using density functional calculations. We find that the energy scales for moment formation and ordering are similar and high. Additionally, we find that the magnetic anisotropy is high and favors moments oriented along the c axis. This provides an explanation for the exceptionally high ordering temperature. Finally, the compound is found to be semiconducting at the bare density functional level, even without magnetic order. Lastly, we discuss experimental consequences of this scenario for the high ordering temperature.
36 MATERIALS SCIENCE↗
One-dimensional mimicking of electronic structure: The case for exponentials
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Baker, Thomas E.↗
Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus
Not Available
Popović, Z. S.↗
Controlling the electronic structure of graphene using surface-adsorbate interactions
Hybridization of atomic orbitals in graphene on Ni(111) opens up a large energy gap of ≈2.8eV between nonhybridized states at the K point. Here we use alkali-metal adsorbate to reduce and even eliminate this energy gap, and also identify a new mechanism responsible for decoupling graphene from the Ni substrate without intercalation of atomic species underneath. Using angle-resolved photoemission spectroscopy and density functional theory calculations, we show that the energy gap is reduced to 1.3 eV due to moderate decoupling after adsorption of Na on top of graphene. Calculations confirm that after adsorption of Na, graphene bonding to Ni is much weaker due to a reduced overlap of atomic orbitals, which results from n doping of graphene. Finally, we show that the energy gap is eliminated by strong decoupling resulting in a quasifreestanding graphene, which is achieved by subsequent intercalation of the Na underneath graphene. Furthermore, the ability to partially decouple graphene from a Ni substrate via n doping, with or without intercalation, suggests that the graphene-to-substrate interaction could be controlled dynamically.
36 MATERIALS SCIENCE↗