Electronic transitions induced by short-range structural order in amorphousTiO2

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Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides.The structural and electronic properties of reduced amorphous titania.

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Q33700708-6F9E7148-83C7-4754-911B-41854974A444 Q47938619-18B9DCC3-3B82-4502-8C7A-4E64D99E20BD

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Electronic transitions induced by short-range structural order in amorphousTiO2

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im Oktober 2016 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в жовтні 2016

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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Electronic transitions induced by short-range structural order in amorphousTiO2

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C. A. Triana

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C. Moyses Araujo

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R. Ahuja

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T. Edvinsson

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Generalized Gradient Approximation Made Simple

Self-Consistent Equations Including Exchange and Correlation Effects

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Projector augmented-wave method

Special points for Brillouin-zone integrations

Experimental and theoretical identification of a new high-pressure TiO2 polymorph

Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure

RMCProfile: reverse Monte Carlo for polycrystalline materials

ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT.

Screened hybrid density functionals applied to solids.

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scholarly article

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10.1103/PHYSREVB.94.165129

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English

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http://www.w3.org/2001/XMLSchema#string

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http://www.w3.org/2001/XMLSchema#string

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Gunnar A. Niklasson

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2016-10-14T00:00:00Z

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Electronic transitions induced by short-range structural order in amorphousTiO2

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P2860

P2860

Electronic transitions induced by short-range structural order in amorphousTiO2

description

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type

label

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P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P50

P577

P356

P1433

P1476

P2093

P2860

P31

P356

P407

P433

P478

P50

P577