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Three-dimensional band structure of unoccupied and occupied states of theprototype layered material TiTe2 is determined focusing on the GammaA line ofthe Brillouin zone. Dispersions and lifetimes of the unoccupied states, actingas the final states in the photoemission process, are determined from avery-low-energy electron diffraction experiment supported by first-principlescalculations based on a Bloch waves treatment of multiple scattering. Theexperimental unoccupied states of TiTe2 feature dramatic non-free-electroneffects such as multiband composition and non-parabolic dispersions. Thevalence band layer-perpendicular dispersions are then determined from aphotoemission experiment consistently interpreted on the basis of theexperimental final states to achieve control over the 3-dimensional wavevector.The experimental results demonstrate the absence of the Te 4pz* Fermi surfacepocket at the Gamma point and significant self-energy renormalization of thevalence band dispersions. Photoemission calculations based on a novel Blochwaves formalism within the one-step theory reveal limitations of understandingphotoemission from layered materials such as TiTe2 in terms of directtransitions.Comment: submitted to Phys. Rev. B; 11 figures (color

physical review. b, condensed matter and materials physics

Three-dimensional band structure of layered<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>TiTe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>: Photoemission final-state effects

Three-dimensional band structure of layeredTiTe2: Photoemission final-state effects