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Now showing items 11-20 of 124
Simulating STM transport in alkanes from first principles
(2009)
Simulations of scanning tunneling microscopy
STM
measurements for molecules on surfaces are tradi-
tionally based on a perturbative approach, most typically employing the Tersoff-Hamann method. This assumes
that the ...
Impurity invisibility in graphene: Symmetry guidelines for the design of efficient sensors
(2016)
Renowned for its sensitivity to detect the presence of numerous substances, graphene is an excellent chemical sensor. Unfortunately, which general features a dopant must have in order to enter the list of substances ...
Strategy for detection of electrostatic spin-crossover effect in magnetic molecules
(2013)
Scanning tunneling microscopy (STM) can be used to detect inelastic spin transitions in magnetic nanostructures comprising only a handful of atoms. Here we demonstrate theoretically that STM can uniquely identify the ...
Magnetic order and magnetotransport in half-metallic ferrimagnetic MnyRuxGa thin films
(2021)
The ruthenium content of half-metallic Mn2RuxGa thin films, with a biaxially strained inverse Heusler structure, controls the ferrimagnetism that determines their magnetic and electronic properties. An extensive study of ...
Superparamagnetism in MgO-based magnetic tunnel junctions with a thin pinned ferromagnetic electrode
(2010)
MgO-based magnetic tunnel junctions have been fabricated with a thin Co40Fe40B20 (CoFeB) layer in the pinned synthetic antiferromagnetic CoFe/Ru/CoFeB stack. An inverted tunneling magnetoresistance is observed due to the ...
Hybrid density functional theory applied to magnetite: Crystal structure, charge order, and phonons
(2009)
The electronic structure and equilibrium structure of magnetite (Fe3O4) in the high temperature cubic Fd3¯m and low temperature monoclinic P2/c unit cells have been computed using the Perdew-Wang generalized gradient ...
Reactivity of transition-metal alloys to oxygen and sulfur
(2021)
Oxidation and tarnishing are the two most common initial steps in the corrosive process of metals at ambient
conditions. These are always initiated with O and S binding to a metallic surface, so that one can use the ...
Control led sequential dehydrogenation of single molecules by scanning tunneling microscopy
(2010)
Scanning tunneling microscopy
STM
is today the most powerful and versatile tool available for imaging
and manipulating single molecules on surfaces. Here, we explore its ultimate limit by demonstrating the
possibility ...
Friedel Oscillations in graphene: Sublattice Asymmetry in Doping
(2013)
Symmetry breaking perturbations in an electronically conducting medium are known to produce Friedel oscillations in various physical quantities of an otherwise pristine material. Here we show in a mathematically transparent ...