DFT

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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point defects

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metal

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optical properties

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oxide

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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method development

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molecular dynamics

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interatomic potential

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nanoparticles

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experiment

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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transport

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Monte Carlo

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perovskite

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iron

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energy

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radiation detection

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alloy

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TCO

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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phonons

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gold

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ABOP

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copper

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ferroelectric

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halide

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MOST

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shock

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carbide

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electronic structure

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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scintillator

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benchmark

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plasmons

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surfaces

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thermal conductivity

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phase transition

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chromium

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band alignment

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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CTAB

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titanium

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entropy

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clathrate

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phosphor

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telluride

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titania

Intrinsic energy band alignment of functional oxides Permalink

S. Li, F. Chen, R. Schafranek, T. Bayer, K. Rachut, A. Fuchs, S. Siol, M. Weidner, V. Pfeifer, J. Morasch, C. Ghinea, E. Arveux, R. Günzler, J. Gassmann, C. Körber, Y. Gassenbauer, F. Säuberlich, G. V. Rao, S. Payan, M. Maglione, C. Chirila, L. Pintilie, L. Jia, K. Ellmer, M. Naderer, K. Reichmann, U. Böttger, R. Frunza, H. Uršič, B. Malič, W. Wu, P. Erhart, and A. Klein
physica status solidi - rapid research letters 8, 571 (2014)
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tantalum

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surfactants

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thiols

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benzene

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anthracene

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perylene

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cluster expansions

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nickel

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silica

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CZT

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rutile

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anatase

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CAS

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TMD

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MEAM

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EAM

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zirconium

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kMC

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machine learning

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DLVO

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boron nitride

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Wulff construction

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