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121

Conference Presentation

Tuning electron transport property of molecular junction by means of chemical functionalization

Tsukamoto, S.
2012

122

Conference Presentation

Density functional simulations of chalcogen systems: A survey and some lessons

Jones, R.O.
2012

123

Journal Article

Superparamagetism in Gd-doped GaN induced by Ga-vacancy clustering

Thiess, A.
2012

Physical Review B Physical review / B, 86 86 (2012 2012) 18 18, S. 180401 180401

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124

Journal Article

Robustness and stability of half-metallic ferromagnetism in alkaline-earth metal mononitrides against doping and deformation

Ozdogam, K.
2012

Journal of applied physics, 111 (2012) S. 113918

Get full text Published under German "Allianz" Licensing conditions on 2012-06-13. Available in OpenAccess from 2012-06-13

125

Journal Article

Correlations in sequences of generalized eigenproblems arising in Density Functional Theory

Di Napoli, E.
2012

Computer physics communications, 183 (2012) S. 1674 - 1682

126

Journal Article

Nucleus-driven crystallization of amorphous Ge_2Sb_2Te_5: A density functional study

Kalikka, J.
2012

Physical Review B Physical review / B, 86 86 (2012 2012) 14 14, S. 144113 144113

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127

Journal Article

Role of vacancies in metal-insulator transitions of crystalline phase-change materials

Zhang, W.
2012

Nature materials, 11 (2012) S. 952 - 956

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128

Journal Article

Theoretical investigation of the inverse Faraday effect via a stimulated Raman scattering process

Popova, D.
2012

Physical Review B Physical review / B, 85 85 (2012 2012) 9 9, S. 094419 094419

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129

Journal Article

Precise response functions in all-electron methods: Application to the optimized-effective-potential approach

Betzinger, M.
2012

Physical Review B Physical review / B, 85 85 (2012 2012) 24 24, S. 245124 245124

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130

Journal Article

Tuning the electron transport of molecular junctions by chemically functionalizing anchoring groups: First-principles study

Tsukamoto, S.
2012

Physical Review B Physical review / B, 85 85 (2012 2012) 24 24, S. 245435 245435

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131

Journal Article

Massively parallel density functional calculations for thousands of atoms: KKRnano

Thiess, A.
2012

Physical Review B Physical review / B, 85 85 (2012 2012) 23 23, S. 235103 235103

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132

Book
Dissertation / PhD Thesis

Contact Mechanics and Friction of Elastic Solids on Hard and Rough Substrates

Lorenz, Boris
2012

OpenAccess

133

Journal Article

Structure and dynamics in amorphous tellurium and Ten clusters: A density functional study

Akola, J.
2012

Physical Review B Physical review / B, 85 85 (2012 2012) 13 13, S. 134103 134103

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134

Contribution to a book
Contribution to a conference proceedings

A03: Scattering Theory: Dynamical Theory

Mokrousov, Yuriy
2012

OpenAccess

135

Contribution to a book
Contribution to a conference proceedings

A02: Scattering Theory: Born Series

Blügel, Stefan
2012

OpenAccess

136

Journal Article

Electrically Tunable Quantum Anomalous Hall Effect in Graphene Decorated by 5d Transition-Metal Adatoms

Zhang, H.
2012

Physical review letters, 108 (2012) S. 056802

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137

Journal Article

Self-Affine Elastic Contacts: Percolation and Leakage

Dapp, W.B.
2012

Physical review letters, 108 (2012) S. 244301

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138

Journal Article

Information Transfer by Vector Spin Chirality in Finite Magnetic Chains

Menzel, M.
2012

Physical review letters, 108 (2012) S. 197204

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139

Journal Article

Ir(111) Surface State with Giant Rashba Splitting Persists under Graphene in Air

Varykhalov, A.
2012

Physical review letters, 108 (2012) S. 066804

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140

Journal Article

Semiempirical van der Waals interactions versus ab initio nonlocal correlation effects in the thiophene-Cu(111) system

Callsen, M.
2012

Physical Review B Physical review / B, 86 86 (2012 2012) 8 8, S. 085439 085439

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