H. Rosner

Publication List Details

Period

1997 - 2009

Number

276

Co-Authors

Electronic structure and magnetic properties of Li_2ZrCuO_4 - a spin 1/2 Heisenberg system in vicinity to a quantum critical point (2009)

Schmitt, M., Malek, J., Rosner, H.

Based on density functional calculations, we present a detailed theoretical study of the electronic structure and the magnetic properties of the quasi-one dimensional chain cuprate Li_2ZrCuO_4...

Highly Dispersive Spin Excitations in the Chain Cuprate Li2CuO2 (2009)

Lorenz, W. E. A., Kuzian, R. O., Wizent, N., Behr, G., ...

We present an inelastic neutron scattering investigation of Li2CuO2 detecting the long sought quasi-1D magnetic excitations with a large dispersion along the CuO2-chains studied up to 25 meV. The...

Influence of the Nd $4f$ states on the magnetic behavior and the electric field gradient of the oxypnictides superconductors NdFeAsO$_{1-x}$F$_x$ (2009)

Jeglic, P., Bos, J. -W. G., Zorko, A., Brunelli, M., Koch, K., Rosner, H., ...

The structural, electronic, and magnetic properties of the superconducting NdFeAsO$_{1-x}$F$_{x}$ phases ($T_C=43 {\rm K}$ for $x=0.15$) have been investigated experimentally by high-resolution...

Electronic structure and magnetic properties of the spin-1/2 Heisenberg system CuSe2O5 (2009)

Janson, O., Schnelle, W., Schmidt, M., Prots, Yu., Filatov, S. K., ...

A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific...

AgCuVO4: a quasi one-dimensional S = 1/2 chain compound (2009)

Möller, A., Schmitt, M., Schnelle, W., Förster, T., Rosner, H.

We present a joint experimental and computational study of the recently synthesized spin 1/2 system silver-copper-orthovanadate AgCuVO4 [A. M\"oller and J. Jainski, Z. Anorg. Allg. Chem. 634, 1669...

Electronic structure of SrPt_4Ge_{12}: a combined photoelectron spectroscopy and band structure study (2009)

Rosner, H., Gegner, J., Regesch, D., Schnelle, W., Gumeniuk, R., Leithe-Jasper, A., ...

We present a combined study of the electronic structure of the superconducting skutterudite derivative SrPt4Ge12 by means of X-ray photoelectron spectroscopy and full potential band structure...

Crystal water induced switching of magnetically active orbitals in CuCl2 (2009)

Schmitt, M., Janson, O., Schmidt, M., Hoffmann, S., Schnelle, W., ...

The dehydration of CuCl2*2(H2O) to CuCl2 leads to a dramatic change in magnetic behavior and ground state. Combining density functional electronic structure and model calculations with...

New insight into the physics of iron pnictides from optical and penetration depth data (2009)

Rosner, H., Grobosch, M., Behr, G., Roth, F., Fuchs, G., ...

We report theoretical values for the unscreened plasma frequencies Omega_p of several Fe pnictides obtained from DFT based calculations within the LDA and compare them with experimental plasma...

Superconductivity induced by ruthenium substitution in an iron arsenide: investigation of SrFe2-xRuxAs2 (0 (2009)

Schnelle, W., Leithe-Jasper, A., Gumeniuk, R., Burkhardt, U., Kasinathan, D., Rosner, H.

The magnetism in SrFe2As2 can be suppressed by electron doping through a small substitution of Fe by Co or Ni, giving way to superconductivity. We demonstrate that a massive substitution of Fe by...

Analysis of the electric field gradient in the perovskites SrTiO3 and BaTiO3: density functional and model calculations (2009)

Koch, K., Kuzian, R. O., Koepernik, K., Kondakova, I. V., Rosner, H.

We analyze recent measurements [R. Blinc, V. V. Laguta, B. Zalar, M. Itoh and H. Krakauer, J. Phys. : Cond. Mat., v.20, 085204 (2008)] of the electric field gradient on the oxygen site in the...

Superconductivity and Field-Induced Magnetism in SrFe_1.75Co_0.25As_2 (2009)

Khasanov, R., Maisuradze, A., Maeter, H., Kwadrin, A., Luetkens, H., Amato, A., ...

Using muon-spin rotation, we studied the in-plane (\lambda_ab) and the out of plane (\lambda_c) magnetic field penetration depth in SrFe_1.75Co_0.25As_2 (T_c=13.3 K). Both \lambda_ab(T) and...

Superfluid Density and Energy Gap-Function of Superconducting PrPt4Ge12 (2009)

Maisuradze, A., Nicklas, M., Gumeniuk, R., Baines, C., Schnelle, W., Rosner, H., ...

The filled skutterudite superconductor PrPt4Ge12 was studied in muon-spin rotation (muSR), specific heat, and electrical resistivity experiments. The continuous increase of the superfluid density...

Orbital-spin order and the origin of structural distortion in MgTi$_2$O$_4$ (2009)

Leoni, S., Yaresko, A. N., Perkins, N., Rosner, H., Craco, L.

We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted...

Self-Doping Induced Orbital-Selective Mott Transition in Hg2Ru2O7 (2009)

Craco, L., Laad, M. S., Leoni, S., Rosner, H.

Pyrochlore oxides are fascinating systems where strong, multi-orbital correlations in concert with geometrical frustration give rise to unanticipated physical properties. The detailed mechanism of...

Electrodynamic response of incoherent metals: Normal phase of iron pnictides (2009)

Laad, M. S., Craco, L., Leoni, S., Rosner, H.

The recent discovery of high-temperature superconductivity in doped iron pnictides is the latest example of unanticipated behavior exhibited by d- and f-band materials. The symmetry of the...

Electronic properties of LaOFFeAs in the normal state probed by NMR/NQR (2008)

Lang, G., Hammerath, F., Paar, D., Manthey, K., Koch, K., ...

We report 139La, 57Fe and 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on powders of the new LaO1-xFxFeAs superconductor for x = 0 and x = 0.1 at...

Excitation of a bosonic mode by electron tunneling into a cuprate superconductor (2008)

Das, P., Koblischka, M. R., Rosner, H., Wolf, Th., Hartmann, U.

We performed scanning tunneling spectroscopic experiments on hole-doped NdBa$_2$Cu$_3$O$_{7-\delta}$. The d$I$/d$V$ curves obtained at 4.2 K are asymmetric with clear peak-dip and hump structures....

Mottness underpins the anomalous optical response of Iron Pnictides (2008)

Laad, M. S., Craco, L., Leoni, S., Rosner, H.

The recent discovery of high-temperature superconductivity (HTSC) in doped Iron pnictides is the latest example of unanticipated behavior exhibited by $d$- and $f$-band materials. The symmetry of the...

Possible re-entrant superconductivity in EuFe2As2 under pressure (2008)

Miclea, C. F., Nicklas, M., Jeevan, H. S., Kasinathan, D., Hossain, Z., Rosner, H., ...

We studied the temperature-pressure phase diagram of EuFe2As2 by measurements of the electrical resistivity. The antiferromagnetic spin-density-wave transition at T_0 associated with the FeAs-layers...

Effect of pressure on the magnetostructural transition in SrFe2As2 (2008)

Kumar, M., Nicklas, M., Jesche, A., Caroca-Canales, N., Schmitt, M., Hanfland, M., ...

We present a systematic pressure study of poly- and single crystalline SrFe2As2 by electrical resistivity and X-ray diffraction measurements. SrFe2As2 exhibits a structural phase transition from a...

Intrinsic peculiarities of real material realizations of a spin-1/2 kagome lattice (2008)

Janson, O., Richter, J., Rosner, H.

Spin-1/2 magnets with kagome geometry, being for years a generic object of theoretical investigations, have few real material realizations. Recently, a DFT-based microscopic model for two such...

Superconductivity in SrFe_(2-x)Co_xAs_2: Internal Doping of the Iron Arsenide Layers (2008)

Leithe-Jasper, A., Schnelle, W., Geibel, C., Rosner, H.

In the electron doped compounds SrFe_(2-x)Co_xAs_2 superconductivity with T_c up to 20 K is observed for 0.2 < x < 0.4. Results of structure determination, magnetic susceptibility, electrical...

Temperature dependent optical conductivity of undoped cuprates with weak exchange (2008)

Malek, J., Nitzsche, U., Rosner, H., Eschrig, H.

The optical conductivity sigma(omega) is calculated at finite temperature T for CuO_2 chain clusters within a pd-Hubbard model. Data at T = 300 K for Li_2CuO_2 are reanalyzed within this approach....

Strong coupling between magnetic and structural order parameters in SrFe2As2 (2008)

Jesche, A., Caroca-Canales, N., Rosner, H., Borrmann, H., Ormeci, A., Kasinathan, D., ...

X-ray and Neutron diffraction as well as muon spin relaxation and M\"ossbauer experiments performed on SrFe$_2$As$_2$ polycrystalls confirm a sharp first order transition at $T_0 = 205$,K...

Electrical Resistivity and Specific Heat of EuFe2As2 Single Crystals: Magnetic homologue of SrFe2As2 (2008)

Jeevan, H. S., Hossain, Z., Kasinathan, Deepa, Rosner, H., Geibel, C., Gegenwart, P.

We have grown single crystals of EuFe2As2 and investigated its electrical transport and thermodynamic properties. Electrical resistivity and specific heat measurements clearly establish the intrinsic...

Modified kagome physics in the natural spin-1/2 kagome lattice systems - kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2 (2008)

Janson, O., Richter, J., Rosner, H.

The recently discovered natural minerals Cu3Zn(OH)6Cl2 and Cu3Mg(OH)6Cl2 are spin 1/2 systems with an ideal kagome geometry. Based on electronic structure calculations, we develop a realistic model...

Magnetic and structural transitions in layered FeAs systems: AFe2As2 versus RFeAsO compounds (2008)

Krellner, C., Caroca-Canales, N., Jesche, A., Rosner, H., Ormeci, A., Geibel, C.

Resistivity, specific heat and magnetic susceptibility measurements performed on SrFe2As2 samples evidence a behavior very similar to that observed in LaFeAsO and BaFe2As2 with the difference that...

Normal State Correlated Electronic Structure of Iron Pnictides (2008)

Craco, L., Laad, M. S., Leoni, S., Rosner, H.

We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy...

Strong frustration due to competing ferromagnetic and antiferromagnetic interactions: magnetic properties of M(VO)2(PO4)2 (M = Ca and Sr) (2008)

Nath, R., Tsirlin, A. A., Kaul, E. E., Baenitz, M., Büttgen, N., Geibel, C., ...

We present a detailed investigation of the magnetic properties of complex vanadium phosphates M(VO)2(PO4)2 (M = Ca, Sr) by means of magnetization, specific heat, 31P NMR measurements, and band...

Electronic and magnetic properties of K$_{2}$CuP$_{2}$O$_{7}$ - a model S=1/2 Heisenberg chain system (2008)

Nath, R., Kasinathan, Deepa, Rosner, H., Baenitz, M., Geibel, C.

The electronic and magnetic properties of K$_{2}$CuP$_{2}$O$_{7}$ were investigated by means of susceptibility, specific heat and $^{31}$P nuclear magnetic resonance (NMR) measurements and by LDA...

Magnetic properties of BaCdVO(PO_4)_2: a strongly frustrated spin-1/2 square lattice close to the quantum critical regime (2008)

Nath, R., Tsirlin, A. A., Rosner, H., Geibel, C.

We report magnetization and specific heat measurements on polycrystalline samples of BaCdVO(PO_4)_2 and show that this compound is a S=1/2 frustrated square lattice with ferromagnetic...

STM based inelastic electron tunneling spectroscopy on NdBa§2Cu§3O§7§-§#d. (2008)

Das, P., Koblischka, M.R., Rosner, H., Wolf, T., Hartmann, U.

72.Jahrestagung der Deutschen Physikalischen Gesellschaft und DPG Frühjahrstagung des Arbeitskreises Festkörperphysik, Fachverband Tiefe Temperaturen, Berlin, 25.-29.Februar 2008

Superconductivity in the New Platinum Germanides MPt4Ge12 (M = Rare-earth and Alkaline-earth Metals) with Filled Skutterudite Structure (2007)

Gumeniuk, R., Schnelle, W., Rosner, H., Nicklas, M., Leithe-Jasper, A., Grin, Yu.

New germanium-platinum compounds with the filled-skutterudite crystal structure were synthesized. The structure and composition were investigated by X-ray diffraction and microprobe analysis....

CeRuPO: A rare example of a Ferromagnetic Kondo lattice (2007)

Krellner, C., Kini, N. S., Bruning, E. M., Koch, K., Rosner, H., Nicklas, M., ...

We have determined the physical ground state properties of the compounds CeRuPO and CeOsPO by means of magnetic susceptibility chi(T), specific heat C(T), electrical resistivity rho(T), and...

The route of frustrated cuprates from antiferromagnetic to ferromagnetic spin-1/2 Heisenberg chains: Li2ZrCuO4 as a missing link near the quantum critical point (2007)

Volkova, O., Vasiliev, A. N., Tristan, N., Richter, J., Schmitt, M., ...

From thermodynamics, LSDA+U calculations and exact diagonalization studies of a five-band Hubbard (Cu 3d, O 2p) model on CuO2 stripes we found that Li2ZrCuO4 (Li2CuZrO4 in traditional notation) is...

and related frustrated chain cuprates (2007)

J. Phys, Condens Matter, S-l Drechsler, R Klingeler, O Volkova, A Vasiliev, ...

A novel subclass of frustrated undoped edge-shared CuO2 chain materials with intriguing magnetism is briefly reviewed. These cuprates show at low temperature a tendency to helicoidal magnetic...

Sr$_2$Cu(PO$_4$)$_2$: A real material realization of the 1D nearest neighbor Heisenberg chain (2006)

Johannes, M. D., Richter, J., Rosner, H.

We present evidence that crystalline Sr_2Cu(PO_4)_2 is a nearly perfect one-dimensional (1D) spin-1/2 anti-ferromagnetic Heisenberg model (AHM) chain compound with nearest neighbor only exchange. We...

Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br and Cu4Te5O12Cl4 (2006)

Valenti, R., Saha-Dasgupta, T., Jeschke, H. O., Rahaman, B., Rosner, H., Lemmens, P., ...

We present a comparative study of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br (Cu-2252(X)) and the newly synthesized Cu4Te5O12Cl4 (Cu-45124(Cl)) based on ab initio Density...

Origin of Strong Coupling in Lithium under Pressure (2006)

Kasinathan, Deepa, Koepernik, K., Kunes, J., Rosner, H., Pickett, W. E.

In an attempt to provide a clearer understanding of the impressive increase in T_c under pressure in elemental Li, linear response calculation of the phonon dispersion curves, electron-phonon matrix...

LETTERS Magneto-elastic lattice collapse in YCo5 (2006)

H. Rosner, D. Koudela, U. Schwarz, A. Handstein, M. Hanfland, I. Opahle, ...

The isomorphic collapse of crystalline lattices under pressure is a rare and intriguing phenomenon—the most famous examples being samarium sulphide and cerium metal. Both lattices are cubic under...

High spin polarization in the ferromagnetic filled skutterudites KFe4Sb12 and NaFe4Sb12 (2005)

Sheet, Goutam, Rosner, H., Wirth, S., Leithe-Jasper, A., Schnelle, W., Burkhardt, U., ...

The spin polarization of ferromagnetic alkali-metal iron antimonides KFe4Sb12 and NaFe4Sb12 is studied by point-contact Andreev reflection using superconducting Nb and Pb tips. From these...

Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots (2005)

Kasinathan, Deepa, Kunes, J., Lazicki, A., Rosner, H., Yoo, C. S., Scalettar, R. T., ...

The highest superconducting temperature T$_c$ observed in any elemental metal (Li with T$_c$ ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon...

Quantum helimagnetism of the frustrated spin-(1)/(2) chain LiCuVO4 (2005)

Enderle, M., Mukherjee, C., Fak, B., Kremer, R. K., Broto, J. M., Rosner, H., ...

Inelastic neutron scattering, susceptibility, and high-field magnetization identify LiCuVO4 as a nearest-neighbour ferromagnetic, next-nearest-neighbour frustrated, quasi-one-dimensional helimagnet,...

Comment on "Competition between helimagnetism and commensurate quantum spin correlations in LiCu2O2" (2004)

Malek, J., Richter, J., Moskvin, A. S., Gippius, A. A., Rosner, H.

The microscopic origin of the recently observed helical structure in LiCu2O2 [1] is considered. It is shown that the frustrated antiferromagnetic double chain scenario adopted in Ref.1 is...

Evidence for strong electron-phonon coupling in MgCNi_3 (2004)

Waelte, A., Fuchs, G., Handstein, A., Nenkov, K., Narozhnyi, V. N., ...

The title compound is investigated by specific heat measurements in the normal and superconducting state supplemented by upper critical field transport, susceptibility and magnetization measurements....

NMR and LDA evidence for spiral magnetic order in the chain cuprate LiCu2O2 (2003)

Gippius, A. A, Morozova, E. N., Moskvin, A. S., Zalessky, A. V., Bush, A. A., Baenitz, M., ...

We report on {6,7}Li nuclear magnetic resonance measurements of the spin-chain compound LiCu2O2 in the paramagnetic and magnetically ordered states. Below T about 24 K the NMR lineshape presents a...

TiOCl, an orbital-ordered system? (2003)

Saha-Dasgupta, T., Valenti, Roser, Rosner, H., Gros, Claudius

We present first principles density functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitely the...

Electronic structure and aspects of unconventional superconductivity in Na xCoO2.yH2O (2003)

Rosner,H., Fuchs,G., Handstein,A., Wälte,A.

We examine the electronic structure of Na xCoO2.yH2O within the local density approximation. The parametrization of the band which forms the largest hole-Fermi surface centered at gamma shows...

Evidence for CuO conducting band splitting in the nodal direction of Bi-2212 (2003)

Kordyuk, A. A., Borisenko, S. V., Yaresko, A. N., Rosner, H., Kim, T. K., ...

Using angle-resolved photoemission spectroscopy with ultimate momentum resolution we have explicitly resolved the bilayer splitting in the nodal direction of Bi-2212. The splitting is observed in a...

Halogen-mediated exchange in the coupled-tetrahedra quantum spin systems Cu2Te2O5X2 (X=Br,Cl) (2003)

Valenti, Roser, Saha-Dasgupta, T., Gros, Claudius, Rosner, H.

Motivated by recent discussion on possible quantum critical behavior in the coupled Cu-tetrahedra system Cu2Te2O5Br2, we present a comparative ab initio study of the electronic properties of...

X-ray absorption spectroscopy of CuO2 chains (2003)

Huu, Z., Malek, J., Rosner, H., Neudert, R., Knupfer, M., ...

The electronic structure of various edge-shared chain compounds A1-xCuO2 (A=Ca,Sr,Ba) was studied by O-K and Cu-L3 x-ray absorption spectroscopy and exact diagonalizations techniques. The...

Analysis of possible field-induced superconductivity in anthracene, other polyacenes, and C60 (2002)

Rosner, H., Paasch, G., Malek, J., Shulga, S. V., Eschrig, H.

We consider electronic structure and superconductivity aspects in field-doped polyacenes (PA) and C60. Within a modified Thomas-Fermi approach for typical experimental values of the surface charge...

Sr2V3O9 and Ba2V3O9: quasi one-dimensional spin-systems with an anomalous low temperature susceptibility (2002)

Kaul, E. E., Rosner, H., Yushankhai, V., Sichelschmidt, J., Shpanchenko, R. V., Geibel, C.

The magnetic behaviour of the low-dimensional Vanadium-oxides Sr2V3O9 and Ba2V3O9 was investigated by means of magnetic susceptibility and specific heat measurements. In both compounds, the results...

Vibrational Modes in LiBC: Theory Compared with Experiment (2002)

An, J. M., Rosner, H., Savrasov, S. Y., Pickett, W. E.

The search for other superconductors in the MgB2 class currently is focussed on Li{1-x}BC, which when hole-doped (concentration x) should be a metal with the potential to be a better superconductor...

MgCNi3 : Complex behavior in a strongly coupled superconductor (2002)

Waelte, A., Rosner, H., Johannes, M. D., Fuchs, G., Handstein, A., ...

Polycrystalline samples of the recently discovered MgCNi3 superconductor were investigated by transport, ac susceptibility, dc magnetization and specific heat measurements in magnetic fields up to 16...

The unusual electronic structure of the "pseudo-ladder" compound CaCu2O3 (2002)

Kim, T. K., Rosner, H., Hu, Z., Sekar, C., Krabbes, G., ...

Experimental and theoretical studies of the unoccupied electronic structure of CaCu2O3 single crystals have been performed using polarization-dependent x-ray absorption spectroscopy and band...

Extreme Electron-Phonon Coupling in Boron-based Layered Superconductors (2002)

An, J. M., Savrasov, S. Y., Rosner, H., Pickett, W. E.

The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature...

Insulating Ferromagnetism in La$_{4}$Ba$_{2}$Cu$_{2}$O$_{10}$: an \textit{Ab Initio} Wannier Function Analysis (2002)

Ku, Wei, Rosner, H., Pickett, W. E., Scalettar, R. T.

Microscopic mechanisms of the puzzling insulating ferromagnetism of half-filled La$_{4}$Ba$_{2}$Cu$_{2}$O$_{10}$ are elucidated with energy-resolved Wannier states. The dominant magnetic coupling,...

Exchange integrals of Sr2CuO2Cl2 and Ba2Cu3O4Cl2 from LDA+U calculations (2002)

Yaresko,A. N., Perlov,A. Y., Hayn,R., Rosner,H.

The LDA+U method is used to calculate exchange integrals in strongly correlated cuprate compounds. We distinguish two approaches. The first one compares directly the total energies of different...

Fermi Surfaces of Diborides: MgB2 and ZrB2 (2002)

Rosner, H., An, J. M., Pickett, W. E.

We provide a comparison of accurate full potential band calculations of the Fermi surfaces areas and masses of MgB2 and ZrB2 with the de Haas-van Alphen date of Yelland et al. and Tanaka et al.,...

Calculation of exchange integrals in transition metals oxides using the LDA+U approach (2002)

Yaresko,A., Hayn,R., Perlov,A., Rosner,H., Thalmeier,P.

We propose a method of the calculation of effective exchange coupling constants between the magnetic ions in transition metal oxides based on the mapping of the energy of noncollinear spin-spiral...

Protein folding and stability of human CDK inhibitor p19(INK4d) (2002)

Zeeb,M., Rosner,H., Zeslawski,W., Canet,D., Holak,T. A., Balbach,J.

P19(INK4d) is a tumor suppressing protein and belongs to a family of cyclin D-dependent kinase inhibitors of CDK4 and CDK6, which play a key role in human cell cycle control. P19 comprises ten...

Theoretical de Haas-van Alphen Data and Plasma Frequencies of MgB2 and TaB2 (2002)

Elgazzar, S., Oppeneer, P. M., Hayn, R., Rosner, H.

The de Haas-van Alphen-frequencies as well as the effective masses for a magnetic field parallel to the crystallographic c-axis are calculated within the local spin density approximation (LSDA) for...

Exchange integrals of Sr2CuO2Cl2 and Ba2Cu3O4Cl2 from LDA+U calculations (2002)

Yaresko, A. N., Perlov, A. Y., Hayn, R., Rosner, H.

The LDA+U method is used to calculate exchange integrals in strongly correlated cuprate compounds. We distinguish two approaches. The first one compares directly the total energies of different...

Calculation of exchange integrals in transition metals oxides using the LDA+U approach (2002)

Yaresko, A., Hayn, R., Perlov, A., Rosner, H., Thalmeier, P.

We propose a method of the calculation of effective exchange coupling constants between the magnetic ions in transition metal oxides based on the mapping of the energy of noncollinear spin-spiral...

Protein folding and stability of human CDK inhibitor p19(INK4d) (2002)

Zeeb, M., Rosner, H., Zeslawski, W., Canet, D., Holak, T. A., Balbach, J.

P19(INK4d) is a tumor suppressing protein and belongs to a family of cyclin D-dependent kinase inhibitors of CDK4 and CDK6, which play a key role in human cell cycle control. P19 comprises ten...

Prediction of High Tc Superconductivity in Hole-doped LiBC (2001)

Rosner, H., Kitaigorodsky, A., Pickett, W. E.

The layered lithium borocarbide LiBC, isovalent with and structurally similar to the superconductor MgB2, is an insulator due to the modulation within the hexagonal layers (BC vs. B2). We show that...

Realization of a large J_2 quasi-2D spin-half Heisenberg system: Li2VOSiO4 (2001)

Rosner, H., Singh, R. R. P., Zheng, W. H., Oitmaa, J., Drechsler, S. L., Pickett, W. E.

Exchange couplings are calculated for Li2VOSiO4 using LDA. While the sum of in-plane couplings J_1 + J_2 = 9.5 \pm 1.5 K and the inter-plane coupling J_{perp} \sim 0.2 - 0.3 K agree with recent...

Localisation of doped holes in edge-shared CuO_2 chain cuprates: consequences for dynamic spectral weight transfer (2001)

Hu, Z., Malek, J., Rosner, H., Neudert, R., Knupfer, M., ...

We present a joint experimental and theoretical study of the electronic structure of the cuprate chain systems A_(1-x)CuO_2 (A=Ca,Sr,Ba), as measured using O-K and Cu-L_3 x-ray absorption...

Superconductivity Near Ferromagnetism in MgCNi3 (2001)

Rosner, H., Weht, R., Johannes, M. D., Pickett, W. E., Tosatti, E.

An unusual quasi-two-dimensional heavy band mass van Hove singularity (vHs) lies very near the Fermi energy in MgCNi3, recently reported to superconduct at 8.5 K. This compound is strongly exchange...

Electronic structure and weak electron-phonon coupling in TaB$_2$ (2001)

Rosner, H., Pickett, W. E., Handstein, A., Behr, G., Fuchs, G., ...

We present electronic structure calculations together with resistivity, susceptibility, and specific heat measurements for TaB$_2$ to search for the recently contradictorily reported...

The upper critical field problem in MgB2 (2001)

Shulga, S. V., Eschrig, H., Rosner, H., Pickett, W. E.

The upper critical field Hc2(T) for MgB2 is analyzed in terms of single and multi-band Eliashberg models. The relatively high value of Hc2(0) in the range of 14 to 18 Tesla can be understood, if a...

Metal insulator transition in TlSr2CoO5 from orbital degeneracy and spin disproportionation (2000)

Foerster, D., Hayn, R., Pruschke, T., Rosner, H., Zoelfl, M.

To describe the metal insulator transition in the new oxide TlSr2CoO5 we investigate its electronic structure by LDA and model Hartree-Fock calculations. Within LDA we find a homogeneous metallic and...

Weak antiferromagnetism due to Dzyaloshinskii-Moriya interaction in Ba$_3$Cu$_2$O$_4$Cl$_2$ (2000)

Yushankhai, V., Wolf, M., Hayn, R., Rosner, H.

The antiferromagnetic insulating cuprate Ba$_3$Cu$_2$O$_4$Cl$_2$ contains folded CuO$_2$ chains with four magnetic copper ions ($S=1/2$) per unit cell. An underlying multiorbital Hubbard model is...

The electronic structure of CuSiO3 - a possible candidate for a new inorganic spin-Peierls compound ? (2000)

Rosner, H., Koepernik, K., Hayn, R., Eschrig, H.

Electronic structure calculations are presented for the well-known CuGeO3 and the recently discovered isostructural CuSiO3 compounds. The magnitude of the dispersion in chain direction is...

On the electronic structure of CaCuO2 and SrCuO2 (2000)

Rosner, H., Divis, M., Koepernik, K., Eschrig, H.

Recent electronic structure calculations for the prototypical lowdimensional cuprate compounds CaCuO2 ans SrCuO2 performed by Wu et. al. (J. Phys.: Condens. Matter v. 11 p.4637 (1999))are critically...

Analysis of the valence band photoemission spectrum of Sr$_2$CuO$_2$Cl$_2$ along the high-symmetry directions (1998)

Hayn, R., Rosner, H., Yushankhai, V. Yu., Haffner, S., Dürr, C., Knupfer, M., ...

Band structure calculations have been used to identify the different bands contributing to the polarisation-dependent photoemission spectra of the undoped model cuprate Sr$_2$CuO$_2$Cl$_2$ at the...

Tight-binding parameters and exchange integrals of Ba_2Cu_3O_4Cl_2 (1997)

Rosner, H., Hayn, R., Schulenburg, J.

Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density approximation (LDA) are presented. The investigated compound is similar to the antiferromagnetic parent compounds of cuprate...

Electronic structure and magnetic properties of the linear chain cuprates Sr_2CuO_3 and Ca_2CuO_3 (1997)

Rosner, H., Eschrig, H., Hayn, R., Malek, J.

Sr_2CuO_3 and Ca_2CuO_3 are considered to be model systems of strongly anisotropic, spin-1/2 Heisenberg antiferromagnets. We report on the basis of a band-structure analysis within the local density...