Udo Schwingenschlögl's home page

Institut für Physik

Universität Augsburg

Udo Schwingenschlögl

Theoretical Physics II - Theoretical Solid State Physics

Udo Schwingenschlögl

Z.Y. Zhu, Y.C. Cheng, and U. Schwingenschlögl
The origin of the pseudogap in α-Ga
Journal of Physics: Condensed Matter 23, 475502 (2011)

T.P. Kaloni, M. Upadhyay-Kahaly, and U. Schwingenschlögl
Induced magnetism in transition metal intercalated graphitic systems
Journal of Materials Chemistry 21, 18681-18685 (2011)

Y. Saeed, N. Singh, and U. Schwingenschlögl
First principles results on TbAl₃(BO₃)₄: A promising magneto-optical material
Journal of Applied Physics 110, 103512 (2011)

T.P. Kaloni, Y.C. Cheng, R. Faccio, and U. Schwingenschlögl
Oxidation of monovacancies in graphene by oxygen molecules
Journal of Materials Chemistry 21, 18284-18288 (2011)

S.T. Murphy, A. Chroneos, R.W. Grimes, C. Jiang, and U. Schwingenschlögl
Phase stability and the arsenic vacancy defect in In_xGa_1-xAs
Physical Review B 84, 184108 (2011)

H. Tahini, A. Chroneos, R.W. Grimes, and U. Schwingenschlögl
Diffusion of tin in germanium: A GGA+U approach
Applied Physics Letters 99, 162103 (2011)

M. Casas-Cabanas, M. Frésard, U. Lüders, R. Frésard, C. Schuster, and U. Schwingenschlögl
Narrow in-gap states in doped Al₂O₃
Chemical Physics Letters 515, 29-31 (2011)

Z.Y. Zhu, Y.C. Cheng, and U. Schwingenschlögl
Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors
Physical Review B 84, 153402 (2011)

J.J. Pulikkotil, H.N. Alshareef, and U. Schwingenschlögl
Effects of FeSb₆ octahedral deformations on the electronic structure of LaFe₄Sb₁₂
Chemical Physics Letters 514, 54-57 (2011)

M. Upadhyay-Kahaly, S. Nazir, and U. Schwingenschlögl
Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface
Applied Physics Letters 99, 123501 (2011)

Z.Y. Zhu, Y.C. Cheng, and U. Schwingenschlögl
Vacancy induced half-metallicity in half-Heusler semiconductors
Physical Review B 84, 113201 (2011)

U. Schwingenschlögl, A. Chroneos, C. Schuster, and R.W. Grimes
Doping and cluster formation in diamond
Journal of Applied Physics 110, 056107 (2011)

R. Grau-Crespo and U. Schwingenschlögl
The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO₂
Journal of Physics: Condensed Matter 23, 334216 (2011)

S. Nazir and U. Schwingenschlögl
High charge carrier density at the NaTaO₃/SrTiO₃ hetero-interface
Applied Physics Letters 99, 073102 (2011)

H. Tahini, A. Chroneos, R.W. Grimes, U. Schwingenschlögl, and H. Bracht
Diffusion of E centers in germanium predicted using GGA+U approach
Applied Physics Letters 99, 072112 (2011)

J.J. Pulikkotil, A. Chroneos, and U. Schwingenschlögl
Structure of Sn_1-xGe_x random alloys as obtained from the coherent potential approximation
Journal of Applied Physics 110, 036105 (2011)

Y.C. Cheng, T.P. Kaloni, G.S. Huang, and U. Schwingenschlögl
Origin of the high p-doping in F intercalated graphene on SiC
Applied Physics Letters 99, 053117 (2011)

Y.C. Cheng, Z.Y. Zhu, and U. Schwingenschlögl
Doped silicene: Evidence of a wide stability range
Europhysics Letters (EPL) 95, 17005 (2011)

M.Z.M. Khan, T.K. Ng, U. Schwingenschlögl, P. Bhattacharya, and B.S. Ooi
Effect of the number of stacking layers on the characteristics of quantum-dash lasers
Optics Express 19, 13378-13385 (2011)

S. Nazir, N. Singh, and U. Schwingenschlögl
The metallic interface between the two band insulators LaGaO₃ and SrTiO₃
Applied Physics Letters 98, 262104 (2011)

Z.Y. Zhu, X.H. Wang, and U. Schwingenschlögl
Role of electronic correlations in Ga
Applied Physics Letters 98, 241902 (2011)

A. Goker, Z.Y. Zhu, A. Manchon, and U. Schwingenschlögl
Role of the chemical bonding for the time-dependent electron transport through an interacting quantum dot
Chemical Physics Letters 509, 48-50 (2011)

N. Singh and U. Schwingenschlögl
First principles electronic structure and optical properties of the Zintl compound Eu₃In₂P₄
Chemical Physics Letters 508, 29-32 (2011)

I. Bantounas, S. Goumri-Said, M.B. Kanoun, A. Manchon, I. Roqan, and U. Schwingenschlögl
Ab initio investigation on the magnetic ordering in Gd doped ZnO
Journal of Applied Physics 109, 083929 (2011)

S. Nazir, Z.Y. Zhu, and U. Schwingenschlögl
Charge transfer effects on the Fermi surface of Ba_0.5K_0.5Fe₂As₂
Annalen der Physik (Berlin) 523, 259-264 (2011)

S. Nazir, J.J. Pulikkotil, N. Singh, and U. Schwingenschlögl
Vacancy induced metallicity at the CaHfO₃/SrTiO₃ interface
Applied Physics Letters 98, 133114 (2011)

H. Wang, V. Eyert, and U. Schwingenschlögl
Electronic structure and magnetic ordering of the semiconducting chromium trihalides CrCl₃, CrBr₃, and CrI₃
Journal of Physics: Condensed Matter 23, 116003 (2011)

S. Nazir, Z.Y. Zhu, J.J. Pulikkotil, and U. Schwingenschlögl
Electronic and magnetic structure of BaCoO₂ as obtained from LSDA and LSDA+U calculations
Physics Letters A 375, 1481-1484 (2011)

Y.C. Cheng, Z.Y. Zhu, G.S. Huang, and U. Schwingenschlögl
Grüneisen parameter of the G mode of strained monolayer graphene
Physical Review B 83, 115449 (2011)

S. Nazir, N. Singh, and U. Schwingenschlögl
Charge transfer mechanism for the formation of metallic states at the KTaO₃/SrTiO₃ interface
Physical Review B 83, 113107 (2011)

S. Nazir, S. Auluck, J.J. Pulikkotil, N. Singh, and U. Schwingenschlögl
First-principles comparison of the cubic and tetragonal phases of Mo₃Sb₇
Chemical Physics Letters 504, 148-152 (2011)

M.Z.M. Khan, T.K. Ng, U. Schwingenschlögl, P. Bhattacharya, and B.S. Ooi
Modeling the lasing spectra of InAs/InP quantum dash lasers
Applied Physics Letters 98, 101105 (2011)

U. Schwingenschlögl and R. Frésard
On the interrelation between bulk and thin-film Fermi surfaces
Europhysics Letters (EPL) 92, 67007 (2010)

J.A. Gomez, I. Larkin, and U. Schwingenschlögl
Relaxation of the electronic states at a thin-layer YBa₂Cu₃O₇/PrBa₂Cu₃O₇ interface
Chemical Physics Letters 500, 71-75 (2010)

A route to strong p-doping of epitaxial graphene on SiC

Applied Physics Letters 97, 193304 (2010)

Y. Wang, A. Horsfield, U. Schwingenschlögl, and P.D. Lee
Heterogeneous nucleation of solid Al from the melt by TiB₂ and Al₃Ti: An ab initio molecular dynamics study
Physical Review B 82, 184203 (2010)

S. Nazir and U. Schwingenschlögl
The interface of the ferromagnetic metal CoS₂ and the non-magnetic semiconductor FeS₂
Applied Physics Letters 97, 183113 (2010)

H. Wang and U. Schwingenschlögl
The importance of the on-site electron-electron interaction for the magnetic coupling in the zigzag spin-chain compound In₂VO₅
Journal of Physics: Condensed Matter 22, 416002 (2010)

A. Goker, Z.Y. Zhu, A. Manchon, and U. Schwingenschlögl
Prediction of femtosecond oscillations in the transient current of a quantum dot in the Kondo regime
Physical Review B 82, 161304(R) (2010)

M.A. Khan, M.A. Mukaddam, and U. Schwingenschlögl
Buckled graphene: A model study based on density functional theory
Chemical Physics Letters 498, 157-161 (2010)

J.J. Pulikkotil, H.N. Alshareef, and U. Schwingenschlögl
Variation of equation of state parameters in the Mg₂(Si_1-xSn_x) alloys
Journal of Physics: Condensed Matter 22, 352204 (2010)

U. Schwingenschlögl and C. Di Paola
Electronic structure of BaFe₂As₂ as obtained from DFT/ASW first-principles calculations
Annalen der Physik (Berlin) 522, 594-600 (2010)

S.T. Murphy, A. Chroneos, C. Jiang, U. Schwingenschlögl, and R.W. Grimes
Deviations from Vegard's law in ternary III-V alloys
Physical Review B 82, 073201 (2010)

U. Schwingenschlögl, T. Uchihashi, C. Di Paola, and R. Berndt
Adatom-induced lateral inhomogeneity of quantum well states in metal multilayers
Physical Review B 82, 033406 (2010)

A. Chroneos, C. Jiang, R.W. Grimes, and U. Schwingenschlögl
Special quasirandom structures for binary/ternary group IV random alloys
Chemical Physics Letters 493, 97-102 (2010)

I. Rungger, X. Chen, U. Schwingenschlögl, and S. Sanvito
Finite-bias electronic transport of molecules in a water solution
Physical Review B 81, 235407 (2010)

U. Schwingenschlögl, A. Chroneos, C. Schuster, and R.W. Grimes
Extrinsic doping in silicon revisited
Applied Physics Letters 96, 242107 (2010)

J.J. Pulikkotil and U. Schwingenschlögl
Ab initio description of disordered Sr_1-xK_xFe₂As₂ using the coherent potential approximation
Physical Review Letters 104, 177006 (2010)

A. Chroneos, R. Kube, H. Bracht, R.W. Grimes, and U. Schwingenschlögl
Vacancy-indium clusters in implanted germanium
Chemical Physics Letters 490, 38-40 (2010)

J.A. Gomez, I. Larkin, and U. Schwingenschlögl
First-principles calculations of the YBa₂Cu₃O₇/PrBa₂Cu₃O₇ interface
Mathematics and Computers in Simulation 80, 1499-1508 (2010)

M.M. Fadlallah, C. Schuster, U. Eckern, and U. Schwingenschlögl
Modification of the electronic transport in Au by prototypical impurities and interlayers
Europhysics Letters (EPL) 89, 47003 (2010)

U. Schwingenschlögl, C. Di Paola, K. Nogita, and C.M. Gourlay
The influence of Ni additions on the relative stability of η and η' Cu₆Sn₅
Applied Physics Letters 96, 061908 (2010)

S. López-Moreno, A.H. Romero, A. Muñoz, and U. Schwingenschlögl
First-principles description of atomic gold chains on Ge(001)
Physical Review B 81, 041415(R) (2010)

U. Schwingenschlögl, C. Schuster, and R. Frésard
Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach
Europhysics Letters (EPL) 88, 67008 (2009)

U. Schwingenschlögl, J.A. Gomez, and R. Grau-Crespo
Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb₃Pt₄
Europhysics Letters (EPL) 88, 67001 (2009)

M.M. Fadlallah, C. Schuster, U. Schwingenschlögl, I. Rungger, and U. Eckern
Charge transport through O-deficient Au-MgO-Au junctions
Physical Review B 80, 235332 (2009)

U. Schwingenschlögl, C. Schuster, and R. Frésard
Corundum-based transparent infrared absorbers
Chemical Physics Letters 481, 62-67 (2009)

U. Schwingenschlögl, R. Frésard, and V. Eyert
Influence of the vacuum interface on the charge distribution in V₂O₃ thin films
New Journal of Physics 11, 093034 (2009)

A. Chroneos, C. Jiang, R.W. Grimes, U. Schwingenschlögl, and H. Bracht
E centers in ternary Si_1-x-yGe_xSn_y random alloys
Applied Physics Letters 95, 112101 (2009)

M.M. Fadlallah, C. Schuster, U. Schwingenschlögl, T. Wunderlich, and S. Sanvito
Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au
Journal of Physics: Condensed Matter 21, 315001 (2009)

U. Schwingenschlögl and I.A. Shelykh
Quantum size effects in Pb layers with absorbed Kondo adatoms: Determination of the exchange coupling constant
Physical Review B 80, 033101 (2009)

A. Chroneos, C. Jiang, R.W. Grimes, U. Schwingenschlögl, and H. Bracht
Defect interactions in Sn_1-xGe_x random alloys
Applied Physics Letters 94, 252104 (2009)

U. Schwingenschlögl and C. Schuster
First-principles calculations of electronic states and self-doping effects at a 45° grain boundary in the high temperature YBa₂Cu₃O₇ superconductor
Physical Review Letters 102, 227002 (2009)

U. Schwingenschlögl and C. Schuster
Interface relaxation and electrostatic charge depletion in the oxide heterostructure LaAlO₃/SrTiO₃
Europhysics Letters (EPL) 86, 27005 (2009)

U. Schwingenschlögl and C. Schuster
Tailoring the intrinsic doping at YBa₂Cu₃O₇-metal-contacts
Journal of Physics: Conference Series 150, 052227 (2009)

U. Schwingenschlögl, C. Schuster, and R. Frésard
Stripe segregation and magnetic coupling in the nickelate La_5/3Sr_1/3NiO₄
Annalen der Physik (Berlin) 521, 107-113 (2009)

J. Moosburger-Will, J. Kündel, M. Klemm, S. Horn, P. Hofmann, U. Schwingenschlögl, and V. Eyert
Fermi surface of MoO₂ studied by angle-resolved photoemission, de Haas-van Alphen measurements, and electronic structure calculations
Physical Review B 79, 115113 (2009)

U. Schwingenschlögl and C. Schuster
Quantitative calculations of charge-carrier densities in the depletion layers at YBa₂Cu₃O_7-δ interfaces
Physical Review B 79, 092505 (2009)

U. Schwingenschlögl, R. Frésard, and V. Eyert
Substrate effects on V₂O₃ thin films
Surface Science 603, L19-L21 (2009)

C. Schuster and U. Schwingenschlögl
Adsorption of closed-shell molecules on metallic surfaces: Capabilities and limitations of density functional theory
Chemical Physics Letters 468, 75-78 (2009)

U. Schwingenschlögl and C. Schuster
Exponential decay of relaxation effects at LaAlO₃/SrTiO₃ heterointerfaces
Chemical Physics Letters 467, 354-357 (2009)

U. Schwingenschlögl and C. Schuster
Interaction between the chain and ladder subsystems in (Ca,Sr,La)₁₄Cu₂₄O₄₁
Journal of Physics: Condensed Matter 20, 382201 (2008)

U. Schwingenschlögl and C. Schuster
Electronic structure calculations for inhomogeneous systems: Interfaces, surfaces, and nanocontacts
Annalen der Physik (Berlin) 520, 525-560 (2008)

U. Schwingenschlögl, C. Schuster, and R. Frésard
Magnetic ordering in the striped nickelate La_5/3Sr_1/3NiO₄: A band structure point of view
Europhysics Letters (EPL) 81, 27002 (2008)

U. Schwingenschlögl and C. Schuster
Self-assembled Pt nanowires on Ge(001): Relaxation effects
Europhysics Letters (EPL) 81, 26001 (2008)

U. Schwingenschlögl and C. Schuster
Surface effects on oxide heterostructures
Europhysics Letters (EPL) 81, 17007 (2008)

V. Eyert, U. Schwingenschlögl, C. Hackenberger, T. Kopp, R. Frésard, and U. Eckern
Magnetic ordering in trigonal chain compounds
Progress in Solid State Chemistry 36, 156-161 (2008)

U. Schwingenschlögl and C. Schuster
Confined Ge-Pt states in self-organized Pt nanowire arrays on Ge(001)
The European Physical Journal B 60, 409-411 (2007)

U. Schwingenschlögl and C. Schuster
Magnetic ground state of coupled edge-sharing CuO₂ spin-chains
Physical Review Letters 99, 237206 (2007)

C. Schuster and U. Schwingenschlögl
Geometry dependence of the charge transfer at YBa₂Cu₃O₇-metal interfaces
Journal of Applied Physics 102, 113720 (2007)

U. Schwingenschlögl and C. Schuster
Electronic structure of the c(4x2) reconstructed Ge(001) surface
Chemical Physics Letters 449, 126-129 (2007)

U. Schwingenschlögl and C. Schuster
Magnetic order of the CuO₂ chains in (Sr,Ca)₁₄Cu₂₄O₄₁
Europhysics Letters (EPL) 79, 27003 (2007)

U. Schwingenschlögl
Electronic structure of the zigzag spin-chain compound In₂VO₅
Physical Review B 75, 212408 (2007)

U. Schwingenschlögl and C. Schuster
Charge redistribution at YBa₂Cu₃O₇-metal interfaces
Applied Physics Letters 90, 192502 (2007)

U. Schwingenschlögl and C. Schuster
Geometry effects at atomic-size aluminium contacts
Chemical Physics Letters 439, 143-147 (2007)

U. Schwingenschlögl and V. Eyert
Orbital ordering in the two-dimensional ferromagnetic semiconductor Rb₂CrCl₄
Journal of Magnetism and Magnetic Materials 312, L11-L15 (2007)

V. Eyert, U. Schwingenschlögl, R. Frésard, A. Maignan, C. Martin, N. Nguyen, C. Hackenberger, and T. Kopp
Characterization and electronic structure calculations of the antiferromagnetic insulator Ca₃FeRhO₆
Physical Review B 75, 115105 (2007)

U. Schwingenschlögl and C. Schuster
Intrinsic doping at YBCO-metal interfaces: Quantitative results
Europhysics Letters (EPL) 77, 37007 (2007)

U. Schwingenschlögl and C. Schuster
Electronic structure of spin-chain compounds: Common features
The European Physical Journal B 55, 43-47 (2007)

U. Schwingenschlögl and C. Schuster
Electronic structure of the Au/benzene-1,4-dithiol/Au transport interface: Effects of chemical bonding
Chemical Physics Letters 435, 100-103 (2007)

C. Schuster and U. Schwingenschlögl
One-dimensional Hubbard model at quarter filling on periodic potentials
Physical Review B 75, 045124 (2007)

I. Leonov, A.N. Yaresko, V.N. Antonov, U. Schwingenschlögl, V. Eyert, and V.I. Anisimov
Charge order and spin-singlet pair formation in Ti₄O₇
Journal of Physics: Condensed Matter 18, 10955-10964 (2006)

U. Schwingenschlögl and C. Schuster
Chemical bonding and charge distribution at metallic nanocontacts
Chemical Physics Letters 432, 245-247 (2006)

V. Eyert, U. Schwingenschlögl, and U. Eckern
Covalent bonding and hybridization effects in the corundum-type transition-metal oxides V₂O₃ and Ti₂O₃
Europhysics Letters (EPL) 70, 782-788 (2005)

T. Schmitt, A. Augustsson, J. Nordgren, L.-C. Duda, J. Höwing, T. Gustafsson, U. Schwingenschlögl, and V. Eyert
Electronic structure of Li-inserted V₆O₁₃ battery cathodes: Rigid band behavior and effects of hybridization
Applied Physics Letters 86, 064101 (2005)

U. Schwingenschlögl and V. Eyert
The vanadium Magnéli phases V_nO_2n-1
Annalen der Physik (Berlin) 516, 475-510 (2004)

V. Eyert, U. Schwingenschlögl, and U. Eckern
Charge order, orbital order, and electron localization in the Magnéli phase Ti₄O₇
Chemical Physics Letters 390, 151-156 (2004)

U. Schwingenschlögl, V. Eyert, and U. Eckern
The metal-insulator transition of the Magnéli phase V₄O₇: Implications for V₂O₃
Europhysics Letters (EPL) 64, 682-688 (2003)

U. Schwingenschlögl, V. Eyert, and U. Eckern
Octahedral tilting in ACu₃Ru₄O₁₂ (A=Na, Ca, Sr, La, Nd)
Chemical Physics Letters 370, 719-724 (2003)

U. Schwingenschlögl, V. Eyert, and U. Eckern
From VO₂ to V₂O₃: The metal-insulator transition of the Magnéli phase V₆O₁₁
Europhysics Letters (EPL) 61, 361-367 (2003)

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