Nano Letters · 2017 · 88 citations · 22 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsSolid-state ChemistryAb Initio MethodsDensity Functional TheoryMetalsPhase DiagramsPhase TransitionsSolid-state Phase TransitionsElectrical Conductivity MeasurementsHigh-pressure Phase RelationsHigh-pressure Phase TransitionsMetallic ConductorsPhase BoundariesPhase Diagram MappingPhase Transition PathwaysPressure-induced Phase Transitions
The complexity of strongly correlated electron physics in vanadium dioxide is exemplified as its rich phase diagrams of all kinds, which in turn shed light on the mechanisms behind its various phase transitions. In this work, we map out the hydrostatic pressure-temperature phase diagram of vanadium dioxide nanobeams by independently varying pressure and temperature with a diamond anvil cell. In addition to the well-known insulating M1 (monoclinic) and metallic R (tetragonal) phases, the diagram identifies the existence at high pressures of the insulating M1' (monoclinic, more conductive than M1) phase and two metallic phases of X (monoclinic) and O (orthorhombic, at high temperature only). Systematic optical and electrical measurements combined with density functional calculations allow us to delineate their phase boundaries as well as reveal some basic features of the transitions.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text
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