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Multichannel multiple scattering calculation of L2,3-edge spectra of TiO2 and SrTiO3: Importance of multiplet coupling and band structure

Physical review. B, Condensed matter and materials physics, 2010-03, Vol.81, p.125121/1-125121/6

Krüger, Peter

2010

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Multichannel multiple scattering calculation of L 2 , 3 -edge spectra of TiO 2 and SrTiO 3 : Importance of multiplet coupling and band structure

Physical review. B, Condensed matter and materials physics, 2010-03, Vol.81 (12), Article 125121

Krüger, Peter

2010

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Two-dimensional topological phases and electronic spectrum of Bi 2 Se 3 thin films from G W calculations

Physical review. B, Condensed matter and materials physics, 2015-11, Vol.92 (20), Article 201404

2015

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Ab initio studies of adatom- and vacancy-induced band bending in Bi 2 Se 3

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (3), Article 035313

2015

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Atomic and electronic structure of BeO and the BeO ( 10 1 ¯ 0 ) surface: An ab initio investigation

Physical review. B, Condensed matter and materials physics, 2007-01, Vol.75 (4), Article 045323

2007

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Thin line of a Rashba-type spin texture: Unoccupied surface resonance of Tl/Si(111) along Γ ¯ M

Physical review. B, Condensed matter and materials physics, 2014-10, Vol.90 (16), Article 161109

2014

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Adsorption and diffusion of a molybdenum atom on the TiO2„110... surface : A first-principles study

Physical review. B, Condensed matter and materials physics, 2007, Vol.76, p.115412-1-115412/6

2007

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Adsorption and diffusion of a molybdenum atom on the Ti O 2 ( 110 ) surface: A first-principles study

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (11), Article 115412

2007

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First-principles investigation of the atomic and electronic structure of the 4 H -SiC ( 1 1 ¯ 02 ) − c ( 2 × 2 ) surface

Physical review. B, Condensed matter and materials physics, 2008-12, Vol.78 (24), Article 245318

2008

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First-principles investigation of an epitaxial silicon oxynitride layer on a 6 H ‐ Si C ( 0001 ) surface

Physical review. B, Condensed matter and materials physics, 2008-02, Vol.77 (8), Article 085329

2008

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Hydrogenated Si C ( 001 ) − ( 3 × 2 ) surface: Semiconducting and metallic structures

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (12), Article 125303

2007

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First-principles study of acetylene adsorption on β − Si C ( 001 ) − ( 3 × 2 )

Physical review. B, Condensed matter and materials physics, 2007-04, Vol.75 (15), Article 153305

2007

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Why thermal H 2 molecules adsorb on Si C ( 001 ) − c ( 4 × 2 ) and not on Si C ( 001 ) − ( 3 × 2 ) at room temperature

Physical review. B, Condensed matter and materials physics, 2007-02, Vol.75 (7), Article 073409

2007

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X-ray absorption spectra at the Ca L 2 , 3 edge calculated within multichannel multiple scattering theory

Physical review. B, Condensed matter and materials physics, 2004-12, Vol.70 (24), Article 245120

2004

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Cationic vacancies and anomalous spectral-weight transfer in Ti 1 − x Ta x O 2 thin films studied via polarization-dependent near-edge x-ray absorption fine structure spectroscopy

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (24), Article 245201

2013

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Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on β − Si C ( 001 ) − ( 3 × 2 )

Physical review. B, Condensed matter and materials physics, 2006-11, Vol.74 (20), Article 205311

2006

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X-ray absorption spectra at the Ca L2,3 edge calculated within multichannel multiple scattering theory

Physical review. B, Condensed matter and materials physics, 2004, Vol.70 (24), p.245120.1-245120.10

2004

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Metallization of the 3 C − Si C ( 001 ) − ( 3 × 2 ) surface induced by hydrogen adsorption: A first-principles investigation

Physical review. B, Condensed matter and materials physics, 2005-12, Vol.72 (24), Article 245320

2005

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Resonant photoelectron and photoelectron diffraction across the Fe L3 edge of Fe3O4

Physical review. B, Condensed matter and materials physics, 2010, Vol.81, p.085121/1-085121/6

2010

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Ab initio studies of adatom- and vacancy-induced band bending in Bi sub(2) Se sub(3)

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (3)

2015

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Femtosecond dynamics of excited states of C O adsorbed on Mg O ( 001 ) ‐ ( 1 × 1 )

Physical review. B, Condensed matter and materials physics, 2005-01, Vol.71 (4), Article 045407

2005

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Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO 2 ( 110 ) subsurface

Physical review. B, Condensed matter and materials physics, 2006-06, Vol.73 (24), Article 245433

2006

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Thin line of a Rashba-type spin texture: Unoccupied surface resonance of Tl/Si(111) along [Gamma]M

Physical review. B, Condensed matter and materials physics, 2014-10, Vol.90 (16)

2014

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Transfering spin into an extended [pi] orbital of a large molecule

Physical review. B, Condensed matter and materials physics, 2015-04, Vol.91 (14)

2015

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Cationic vacancies and anomalous spectral-weight transfer in Ti sub(1-x) Ta sub(x) O sub(2) thin films studied via polarization-dependent near-edge x-ray absorption fine structure spectroscopy

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (24)

2013

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Multichannel multiple scattering calculation of L2,3-edge spectra of TiO2 and SrTiO3: Importance of multiplet coupling and band structure

Multichannel multiple scattering calculation of L 2 , 3 -edge spectra of TiO 2 and SrTiO 3 : Importance of multiplet coupling and band structure

Two-dimensional topological phases and electronic spectrum of Bi 2 Se 3 thin films from G W calculations

Ab initio studies of adatom- and vacancy-induced band bending in Bi 2 Se 3

Atomic and electronic structure of BeO and the BeO ( 10 1 ¯ 0 ) surface: An ab initio investigation

Thin line of a Rashba-type spin texture: Unoccupied surface resonance of Tl/Si(111) along Γ ¯ M

Adsorption and diffusion of a molybdenum atom on the TiO2„110... surface : A first-principles study

Adsorption and diffusion of a molybdenum atom on the Ti O 2 ( 110 ) surface: A first-principles study

First-principles investigation of the atomic and electronic structure of the 4 H -SiC ( 1 1 ¯ 02 ) − c ( 2 × 2 ) surface

First-principles investigation of an epitaxial silicon oxynitride layer on a 6 H ‐ Si C ( 0001 ) surface

Hydrogenated Si C ( 001 ) − ( 3 × 2 ) surface: Semiconducting and metallic structures

First-principles study of acetylene adsorption on β − Si C ( 001 ) − ( 3 × 2 )

Why thermal H 2 molecules adsorb on Si C ( 001 ) − c ( 4 × 2 ) and not on Si C ( 001 ) − ( 3 × 2 ) at room temperature

X-ray absorption spectra at the Ca L 2 , 3 edge calculated within multichannel multiple scattering theory

Cationic vacancies and anomalous spectral-weight transfer in Ti 1 − x Ta x O 2 thin films studied via polarization-dependent near-edge x-ray absorption fine structure spectroscopy

Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on β − Si C ( 001 ) − ( 3 × 2 )

X-ray absorption spectra at the Ca L2,3 edge calculated within multichannel multiple scattering theory

Metallization of the 3 C − Si C ( 001 ) − ( 3 × 2 ) surface induced by hydrogen adsorption: A first-principles investigation

Resonant photoelectron and photoelectron diffraction across the Fe L3 edge of Fe3O4

Ab initio studies of adatom- and vacancy-induced band bending in Bi sub(2) Se sub(3)

Femtosecond dynamics of excited states of C O adsorbed on Mg O ( 001 ) ‐ ( 1 × 1 )

Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO 2 ( 110 ) subsurface

Thin line of a Rashba-type spin texture: Unoccupied surface resonance of Tl/Si(111) along [Gamma]M

Transfering spin into an extended [pi] orbital of a large molecule

Cationic vacancies and anomalous spectral-weight transfer in Ti sub(1-x) Ta sub(x) O sub(2) thin films studied via polarization-dependent near-edge x-ray absorption fine structure spectroscopy

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