Applied Physics Letters · 1998 · 32 citations · 11 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsDefects In Electronic MaterialsDensity Functional TheoryElectronic Band StructureElectronic Structure Of SolidsPhase TransitionsStrongly Correlated Electron SystemsElectronic Density Of StatesElectronic Structure EffectsFermi LevelFermi SurfacePhase Transition TemperatureTemperature-induced Phase StabilityTight-binding ModelsTight-binding Theory
Through a tight-binding rigid-band approach we show that changes in the relative stability of the C54, C49, and C40 phases of TiSi2, with electrons per atom ratio, are produced by the corresponding differences in the electronic density of states at the Fermi level. In particular, by increasing this ratio the stable phase evolves from C49 to C54, and then to C40. Our microscopic model provides a straightforward interpretation of very recent experimental findings concerning the sizeable variations in the transition temperature between C49 and C54 TiSi2 in the presence of Al or Mo layers.
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Simplified LCAO Method for the Periodic Potential Problem
J. C. Slater, G. F. Koster · Physical Review · 1954 · 5.2K citations
Low temperature formation of C54–TiSi2 using titanium alloys
C. Cabral, L. A. Clevenger, J. M. E. Harper et al. · Applied Physics Letters · 1997 · 73 citations
Natural Sciences, Materials Engineering, Materials Science +16