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PHYSICAL REVIEW B 79, 155202 (2009)
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JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 321, 3571-3577 (2009)
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Ab initio electronic and magnetic properties of half-metallic NiCrSi and NiMnSi Heusler alloys: The role of defects and interfaces
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On the Volume Chemistry of Solid Compounds: the Legacy of Wilhelm Biltz
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PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 205 (2008) 1036-1039
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Magnetic properties of Fe-Pd magnetic shape memory alloys: Density functional calculations and epitaxial films
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PHYSICAL REVIEW LETTERS 100 (2008) 237202
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Modified kagome physics in the natural spin-1/2 kagome lattice systems: Kapellasite Cu3Zn(OH)(6)Cl-2 and haydeeite Cu3Mg(OH)(6)Cl-2
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JOURNAL OF PHYSICS-CONDENSED MATTER 20, 115202 (2008)
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ACTA PHYSICA POLONICA A 113, 1193-1203 (2008)
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Magnetic properties of Ag2VOP2O7: An unexpected spin dimer system
PHYSICAL REVIEW B 77, 104436 (2008)
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JOURNAL OF PHYSICS-CONDENSED MATTER 20, 175221 (2008)
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Electronic structure and magnetism of ErPd2Sn
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PHYSICAL REVIEW B 77, 134451 (2008)
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Observation of a spin gap in the normal state of superconducting Mo3Sb7
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Half Semimetallic Antiferromagnetism in the Sr_2CrTO_6 System, T=Os, Ru
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Acta Physica Polonica A 113, 283-286 (2008)
Mahdi Sargolzaei and Jan Rusz
Spin and orbital magnetism of FeBr_2: a density functional theory study
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Magnetig State around Cation Vacancies in II-VI Semiconductors
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Ferromagnetism Induced by Orbital Order in the Charge-Transfer Insulator Cs_2AgF_4: An Electronic Structure Study
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H. Rosner, M. D. Johannes, S.-L. Drechsler, M. Schmitt, O. Janson, W. Schnelle, W. Liu, Y. -X. Huang, R. Kniep
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Pressure-driven magnetic moment collapse in the ground state of MnO
New Journal of Physics 9 (2007) 235
T. Jeong, T. Jarlborg
Varying Cu-Ti hybridization near the Fermi energy in CuxTiSe2: Results from supercell calculations
Phys. Rev. B 76, 153103 (2007)
K. Ozdogan, I. Galanakis, E. Sasioglu, B. Aktas
Defect-induced ferrimagnetism in the half-metallic Co2CrAl and Co2CrSi compounds
Phys. Status Solidi -Rapid Res. Letters 1, 95-97 (2007)
C. Loison, A. Leithe-Jasper, H. Rosner
Electronic structures of intermetallic borides RPd3Bx (R=rare-earth metals)
Phys. Rev. B 75, 205135 (2007)
I. Galanakis, K. Ozdogan, E. Sasioglu, B. Aktas
Ab initio design of half-metallic fully compensated ferrimagnets: The case of Cr(2)MnZ (Z=P, As, Sb, and Bi)
Phys. Rev. B 75, 172405 (2007)
S.-L. Drechsler, J. Richter, R. Kuzian, J. Malek, N. Tristan, B. Büchner , A. S. Moskvin, A. A. Gippius, A. Vasiliev, O. Volkova, A. Prokofiev , H. Rakoto, J.-M. Broto, W. Schnelle, M. Schmitt, A. Ormeci, C. Loison, H. Rosner
Helimagnetism and weak ferromagnetism in edge-shared chain cuprates
J. Magn. Magn. Mat. 316, 306-312 (2007)
J. Goraus, A. Slebarski
Ce-4f and Rh-4d electron contributions to the specific heat of Ce2Rh3Al9
J. Magn. Magn. Mat. 315, 111-119 (2007)
P. M. Oppeneer, S. Elgazzar, A. B. Shick, I. Opahle, J. Rusz, R. Hayn
Fermi surface changes due to localized-delocalized f-state transitions in Ce-115 and Pu-115 compounds
J. Magn. Magn. Mat. 310, Part 2, 1684-1690 (2007)
E. Voloshina, B. Paulus
Wave-function-based ab initio method for metals: Application of the incremental scheme to magnesium
Phys. Rev. B 75, 245117 (2007)
B. Andrzejewski, A. Kowalczyk, A. Jezierski, M. R. Lees
Magnetic, transport and high-pressure properties of a W7Re13B superconducting compound
Superconductor Science & Technology 20, 728-735 (2007)
A. Szytula, L. Gondek, M. Slaski, B. Penc, A. Jezierski
Non-magnetic behaviour of UFe2Si2 compound
J. Alloys and Compounds 442, 275-278 (2007)
B. Andrzejewski, A. Kowalczyk, A. Jezierski, M. R. Lees, G. Chelkowska
Superconducting properties of W7Re13B compound
J. Alloys and Compounds 442, 225-227 (2007)
T. Jeong, Y. Kwon
Magnetism and electronic structure of Sc3In
J. of the Korean Phys. Society 51, 629-632 (2007)
D.-K. Seo
Self-interaction correction in the LDA+U method
Phys. Rev. B 76, 033102 (2007)
J. Geck, S.V. Borisenko, H. Berger, H. Eschrig, J. Fink, M. Knupfer, K. Koepernik, A. Koitzsch, A. A. Kordyuk, V. B. Zabolotnyy, B. Büchner
Anomalous quasiparticle renormalization in Na0.73CoO2: Role of interorbital interactions and magnetic correlations
Phys. Rev. Lett. 99, 046403 (2007)
T. Jeong, Y. Kwon
Ab-initio studies on the electronic structure of YbPd2Sn
Solid State Communications 143, 429-431 (2007)
N. Mattern, W. X. Zhang, S. Roth, H. Reuther, C. Baehtz, M. Richter
Structural and magnetic properties of non-stoichiometric Fe2Zr
J. Phys. - Condens. Matter 19, 376202 (2007)
M. Gamza, W. Schnelle, A. Slebarski, H. Rosner
Electronic structure of CeRh2Sn4
Materials Science-Poland 25, 269-274 (2007)
O. Janson, R. O. Kuzian, S.-L. Drechsler, H. Rosner
Electronic structure and magnetic properties of the spin-1/2 Heisenberg magnet Bi2CuO4
Phys. Rev. B 76, 115119 (2007)
H. Eschrig, K. Koepernik
Na0.75CoO2 - an itinerant magnet?
Phys. C-Superconductivity and ITS Applications 460, 495-496 Part 1 (2007)
O. Janson, H. Rosner
Electronic structure and magnetic properties of Bi2CuO4
Phys. C-Superconductivity and ITS Applications 460, 458-459 Part 1 (2007)
M. D. Kuz'min, M. Richter
Mechanism of the strong magnetic refrigerant performance of LaFe13-xSix
Pys. Rev. B 76, 092401 (2007)
A. A. Tsirlin, R. V. Shpanchenko, E. V. Antipov, C. Bougerol, J. Hadermann, G. Van Tendeloo, W. Schnelle, H. Rosner
Spin ladder compound Pb0.55Cd0.45V2O5: Synthesis and investigation
Phys. Rev. B 76, 104429 (2007)
C. Krellner, N. S. Kini, E. M. Bruening, K. Koch, H. Rosner, M. Nicklas, M. Baenitz, C. Geibel
CeRuPO: A rare example of a ferromagnetic Kondo lattice
Phys. Rev. B 76, 104418 (2007)
K.-W. Lee, J. Kunes, R. T. Scalettar, and W. E. Pickett
Correlation Effects in the Triangular Lattice Single-band System Li_xNbO_2
Phys. Rev. B 76, 144513 (2007)
K.-W. Lee and W. E. Pickett
Chemical Differences between K and Na in Alkali Cobaltates
Phys. Rev. B 76, 134510 (2007)
K.-W. Lee and W. E. Pickett
Orbital-Quenching-Induced Magnetism in Ba_2NaOsO_6
Europhys. Lett. 80, 37008 (2007)
M. Samsel-Czekala, E. Talik, P. de V. Du Plessis, R. Troc, H. Misiorek, C. Sulkowski
Electronic structure and magnetic and transport properties of single-crystalline UN
Phys. Rev. B 76, 144426 (2007)
A. Szajek, M. Werwinski
Electronic structure and photoemission spectrum of UCo4B compound
J. Alloys Compd. 442 (2007) 272
M. Samsel-Czekala, R. Troc, E. Talik
Electronic band structure and X-ray photoemission studies of ternaries APdGe (A=Th,U) in the paramagnetic state
Materials Science-Poland, Vol. 25, 301 (2007)
Maria Pugaczowa-Michalska
Electronic structure, equilibrium and magnetic properties of Ni2MnGe: Ab initio study
J. Alloys and Compounds 427 (2007) 54-60
T. Jeong
First-principles study on the electronic structure of CeAuSb2
Phys. B-Condensed Matter 388 (2007) 249-252
T. Jeong
Electronic structure and magnetism of FeGe2
Solid State Communications 141 (2007) 329-331
T. Jeong
Electronic structure and magnetism of CeCoGe3
Solid State Communications 141 (2007) 316-319
T. Jeong
Electronic and magnetic properties of YbCuAl
Phys. B-Condensed Matter 390 (2007) 309-313
S.-L. Drechsler, O. Volkova, A.N. Vasiliev, et al.
Frustrated cuprate route from antiferromagnetic to ferromagnetic spin-1/2 Heisenberg chains: Li2ZrCuO4 as a missing link near the quantum ritical point
Phys. Rev. Lett. 98 (2007) 077202
D.M. Bercha, K.E. Glukhov, M. Sznajder
Elementary energy bands in the band structure of A(IV), A(III)B(V) crystals and superlattices built upon them
Phys. Status Sol. B-Basic Sol. State Phys. 244 (2007)1318-1336
I. Galanakis, K. Ozdogan, E. Sasioglu, B. Aktas
Doping of Mn2VAI and Mn2VSi Heusler alloys as a route to half-metallic antiferromagnetism
Phys. Rev. B 75 (2007) 092407
T. Jeong, Y. Kwon
Electronic and magnetic properties of a heavy fermion compound YbPd
Phys. Lett. A 362 (2007) 500-504
T. Jeong
Electronic structure of LaRh2Si2
Physica B-Condensed Matter 392 (2007)192-194
K. Ozdogan, B. Aktas B, I. Galanakis, E. Sasioglu,
Influence of mixing the low-valent transition metal atoms (Y, Y*=Cr, Mn, Fe) on the properties of the quaternary Co-2[Y1-xYx*]Z (Z=Al, Ga, Si, Ge, or Sn) Heusler compounds
J. Appl. Phys. 101 (2007) 073910
S.-L. Drechsler, N. Tristan, R. Klingeler, B. Büchner, J. Richter, J. Malek, O. Volkova, A. Vasilliev, M. Schmitt, A. Ormeci, C. Loison, W. Schnelle, H. Rosner
Helimagnetism and weak ferromagnetism in NaCu202 and related frustrated chain cuprates
J. Phys. - Condens. Matter 19 (2007) 145230
P.M. Oppeneer, S. Elgazzar, A.B. Shick, I. Opahle, J. Rusz, R. Hayn
Fermi surface changes due to localized-delocalized f-state transitions in Ce-115 and Pu-115 compounds
Journal of Magnetism and Magnetic Materials 310, 1684-1690 (2007)
A.D.Bianchi, J.Wosnitza, N. Kozlova, J. Freudenberger, L. Schultz, I. Opahle, S. Elgazzar, M. Richter, G. Goll, H.V. Löhneysen, T. Yoshino, T. Takabatake
Fermi surfaces of the half-Heusler compounds Ce_{1-x}La_xBiPt
Journal of Magnetism and Magnetic Materials 310, e261-e263 (2007)
N. Gaston, I. Opahle, H.W. Gaeggeler, P. Schwerdtfeger
Is Eka-Mercury (Element 112) a group 12 metal ?
Angew. Chem. Int. Ed. 46, 1663 1666 (2007)
N. Gaston, I. Opahle, H.W. Gaeggeler, P. Schwerdtfeger
Ist Eka-Quecksilber (Element 112) ein Metall der Gruppe 12?
Angew. Chem. 119, 1692-1695 (2007)
T. Jeong
Electronic structure and magnetic properties of beta-Ti6Sn5
J. Magn. Magn. Mat. 309, 71-74 (2007)
2006
P.M. Oppeneer, S. Lebegue, O. Eriksson, I. Opahle, A.B. Shick
Ab initio electronic structure calculations of Pu-115 compounds
J. Phys. Soc. Jpn. 75, S215-219 (2006)
S. Bertaina, R. Hayn
Exchange integrals and magnetization distribution in BaCu2X207(X=Ge,Si)
Phys. Rev. B 73, 212409 (2006)
F. Haarmann, D. Gruener, V. Bezugly, H. Rosner, Y. Grin
Chemical bonding and solid state NMR of alkali metal monostannides MSn(M=Li,Na,K,Rb,Cs)
Z. Anorg. Allg. Chem. 632, 1423-1431 (2006)
T. Jeong
Electronic structure and magnetism of antiferromanetic heavy fermion compound YbSi
J. Phys. - Condens. Matter 18, 6769-6775 (2006)
R. Demchyna, S. Leoni, H. Rosner, U. Schwarz,
High-pressure crystal chemistry of binary intermetallic compounds
Zeitschrift für Kristallographie 221, 420-434 (2006)
F. Schiller, C. Laubschat
Surface states at close-packed surfaces of simple metals
Phys. Rev. B 74, 085109 (2006)
J. Geck, M. v. Zimmermann, H. Berger, S.V. Borisenko, H. Eschrig, K. Koepernik, M. Knupfer, B. Buechner
Stripe correlations in Na0.75CoO2
Phys. Rev. Lett. 97, 106403 (2006)
A. Ormeci, K. Koepernik, H. Rosner
First-principles electronic structure study of Sc-II
Phys. Rev. B 74, 104119 (2006)
Z. P. Yin, S. Y. Savrasov, W. E. Pickett
Linear response study of strong electron-phonon couplig in yttrium under pressure
Phys. Rev. B 74, 094519 (2006)
S.E. Boulfelfel, D. Zahn, O. Hochrein, Y. Grin, S. Leoni
Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of CaF2
Phys. Rev. B 74, 094106 (2006)
A. Jezierski, A. Szytula, D. Kaczorowski
Effect of spin-orbit coupling on the electronic structure of bismuthide YbAuBi
Materials Science-Poland 24, 683-687 (2006)
T. Jeong
Electronic structure and magnetism of YbRhSn
European Physical Journal B 53, 213-217 (2006)
P. Hohn, G. Auffermann, R. Ramlau, H. Rosner, W. Schnelle, R. Kniep
(Ca7N4)[M-x] (M = Ag, Ga, In, Tl): Linear metal chains as guests in a subnitride host
Angewandte Chemie-International Edition 45, 6681-6685 (2006)
Yu. S. Dedkov, E. N. Voloshina, M. Fonin
Observation of surface state on ultrathin fcc gamma-Mn(111) layer
Surface Science 600, 4328-4331 (2006)
T. Jeong
First-principles studies on the electronik structure of ScPd3
Solid State Communications 140 304-307 (2006)
A. Rother, M. Reibold, H. Lichte, T. Leisegang, A. A. Levin, P. Paufler, D. C. Meyer, S. Gemming, I. Chaplygin, G. Seifert, A. Ormeci, H. Rosner
X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystalline BaTiO3
Phys. Rev. B 74, 134116 (2006)
A. Pugaczowa-Michalska
Pressure behaviour and thermal expansion of NiMnSb from first principles calculations
Solid State Communications 140, 251-255 (2006)
S. Leoni, L. Craco, A. Ormeci, H. Rosner
The role of covalency in the orbital-order of 3d(1) perovskites
Solid State Sciences 8, 1138-1143 (2006)
Z. P. Yin, W. E. Pickett
Stability of the Gd magnetic moment to the 500 GPa regime: An LDA+U correlated band method study
Phys. Rev. B 74, 205106 (2006)
D. Kasinathan, J. Kunes, K. Koepernik, C. V. Diaconu, R. L. Martin, I. D. Prodan, G. E. Scuseria, N. Spaldin, L. Petit, T. C. Schulthess, W. E. Pickett
Mott transition of MnO under pressure: A comparison of correlated band theories
Phys. Rev. B 74, 195110 (2006)
M. D. Johannes, J. Richter, S.-L. Drechsler, H. Rosner
Sr2Cu(PO4)(2): A real material realization of the one-dimensional nearest neighbor Heisenberg chain
Phys. Rev. B 74, 174435 (2006)
L. Craco, M.S. Laad, E. Müller-Hartmann
Metallizing the Mott insulator TiOCl by electron doping
J. Phys. - Condens. Matter 18, 10943-10953 (2006)
A. Slebarski, J. Goraus, J. Deniszczyk, L. Skoczen
Electronic structure, magnetic properties and electrical resistivity of the Fe2V1-xTixAl Heusler alloys: experiment and calculation
J. Phys. - Condens. Matter 18, 10319-10334 (2006)
M. Sargolzaei, M. Richter, K. Koepernik, I. Opahle, H. Eschrig, I. Chaplygin
Spin and orbital magnetism in full Heusler alloys: A density functional theory study of Co(2)YZ (Y = Mn, Fe;Z = Al,Si,Ga,Ge)
Phys. Rev. B 74, 224410 (2006)
D. Koudela, M. Richter, A. Möbius, Klaus Koepernik, and Helmut Eschrig
Lifshitz transitions and elastic properties of osmium under pressure
Phys. Rev. B 74, 214103 (2006)
K. Ozdogan, E. Sasioglu, B. Aktas, and I. Galanakis
Doping and disorder in the Co2MnAl and Co2MnGa half-metallic Heusler alloys
Phys. Rev. B 74 172412 (2006)
I. Galanakis, K. Ozdogan, , E. Sasioglu and B. Aktas
Defects in CrAs and related compounds as a route to half-metallic ferrimagnetism
Phys. Rev. B 74 140408(R) (2006)
I. Galanakis, K. Ozdogan, B. Aktas and, E. Sasioglu
Effect of doping and disorder on the half-metallicity of full Heusler alloys
Appl. Phys. Lett. 89 042502 (2006)
K. Ozdogan, I. Galanakis, E. Sasioglu and B. Aktas
Search for half-metallic ferrimagnetism in V-based Heusler alloys Mn2VZ (Z=Al, Ga, In, Si, Ge, Sn)
J. Phys.: Condens. Matt. 18 2905 (2006)
J. Wosnitza, G. Goll, A.D. Bainchi, B. Bergk, N. Kozlova, I. Opahle, S. Elgazzar, Manuel Richter, O. Stockert, H. v. Löhneysen, T. Yoshino, and T. Takabatake
Magnetic-field and temperature-dependent Fermi surface of CeBiPt
New J. Phys. 8, 174 (2006)
Julia Lyubina, Ingo Opahle, Manuel Richter, Oliver Gutfleisch, Karl-Hartmut Müller, Ludwig Schultz, and Olivier Isnard
Influence of composition and order on the magnetism of Fe-Pt alloys: neutron powder diffraction and theory
Appl. Phys. Lett. 89, 032506 (2006)
H. Rosner, D. Koudela, U. Schwarz, A. Handstein, M. Hanfland, I. Opahle, K. Koepernik, M. Kuz'min, K.-H. Müller, J. Mydosh, and M. Richter
Magneto-elastic lattice collapse in YCo_5
Nature Physics 2, 469-472 (2006)
E. R. Ylvisaker, K.-W. Lee, and W. E. Pickett
Comparison of the Electronic Structures of Two Non-cuprate Layered Transition Metal Oxide Superconductors
Physica B 383, 63 (2006)
I. Opahle, S. Elgazzar, V. D. P. Servedio, et al
Calculated de Haas-van Alphen frequencies of NpCoGa_5
Europhysics Letters 74 (1) (2006) 124-130
T. Jeong, A. Kyker, W. E. Pickett
Fermi velocity spectrum and incipient magnetism in TiBe_2
Phys. Rev. B 73 (11) (2006) 115106
T. Chanier, M. Sargolzaei, I. Opahle, et al.
LSDA+U versus LSDA: Towards a better desription of the magnetic nearest-neighbor exchange coupling in Co- and Mn-doped ZnO
Phys. Rev. B 73 (13) (2006) 134418
T. Jeong
Electronic structure of nearly ferromagnetic compound HfZn_2
Solid State Communications 138 (5) (2006) 265-269
A. Kowalczyk, B. Andrzejewski, A. Jezierski, et al.
Superconductivity and electronic structure of the W_7Re_13B compound
ACTA Phys. Polonica A 109 (4-5) (2006) 597-600
M. El-Hagary, H. Michor, S. Ozcan, et al.
Phase formation and ferrimagnetism of GdCo_9Si_4
J. Phys.-Condensed Matter 18 (19) (2006) 4567-4580
Y. Grin, F. R. Wagner, M. Armbruster, et al.
CuAl_2 revisited: Composition, crystal structure, chemical bonding, compressibility and Raman spectroscopy
J. Sol. State Chemistry 179 (6) (2006) 1707-1719
T. Jeong
Electronic structure studies of CeAgSb_2
Solid State Communications 138 (8) (2006) 386-389
T. Jeong, W. Pickett
First-principles study of the electronic structure of heavy fermion YbRh_2Si_2
J. Phys.-Condensed Matter 18 (27) (2006) 6289-6297
Nimori S, Li DX
A pressure study of magnetization in La_3Ir_2Ge_2 and La_3Rh_2Ge_2
Phys. B-Condensed Matter 378-80 (2006) 413-414
K.-W. Lee and W. E. Pickett
Correlation effects in the high formal oxidation-state compound Sr$_2$CoO$_4$
Phys. Rev. B 73, 174428 (2006)
Elena N. Voloshina, Yuri S. Dedkov, Manuel Richter, and Peter Zahn
Electronic structure, magnetism, and spin-dependent transport of CeMnNi_4
Phys. Rev. B 73, 144412 (2006)
K.-W. Lee and W. E. Pickett
Disproportionation and critical interaction strength in Na$_x$CoO$_2$: Concentration dependence
J. Appl. Phys. 99, 08P702 (2006)
A.Szytula, A.Jezierski, A.Winiarski, B.Penc and VH Tran
Photoemission studies and electronic structure of U2T2In (T=Ni,Rh,Pt) compounds
J.Phys.Condensed Matter 18 (2006) 4355-4370
S.-L. Drechsler, J. Richter, A.A. Gippius, A. Vasiliev, A.A. Bush, A.S. Moskvin, J. Malek, Y. Prots, W. Schnelle, H. Rosner
Helical ground state and weak ferromagnetism in the edgeshared chain cuprate NaCu_2O_2
Europhysics Letters 73 (2006) 83-89
M. Sargolzaei, I. Opahle, M. Richter
Spin and orbital magnetism of Au_3Co: Density functional calculations
Phys. Status Sol. B-Basic Sol. State Phys. 243(2006)286-289
J. Sichelschmidt, V. Voevodin, H.J. Im, S. Kimura, H. Rosner, A. Leithe-Jasper, W. Schnelle, U. Burkhardt, J.A. Mydosh, Y. Grin, F. Steglich
Optical pseudogap from iron states in filled skutterudites AFe(4)Sb(12) (A =Yb,Ca,Ba)
Phys. Rev. Lett. 96 (2006) 037406
A. Ormeci, H. Rosner, F.R. Wagner, M. Kohout, Y. Grin
Electron localization function in full-potential representation for crystalline materials
J. Phys. Chemistry A 110 (2006)1100-1105
Y.S. Dedkov, T. Kleissner, E. N. Voloshina, S. Danzenbacher, S.L. Molodtsov, C. Laubschat
Ferromagnetic coupling in Eu/Gd(0001) observed by spin-resolved photoelectron spectroscopy
Phys. Rev. B 73 (2006) 012402
A. Mehta, P. Hohn, W. Schnelle, et. al.
Ba-2[Ni3N2]: A low-valent nitridonickelate - Synthesis, crystal structure, and physical properties
Chemistry-A Europ. Journal 12(2006)1667-1676
K.-W. Lee and W. E. Pickett
Charge and Spin Ordering in Insulating Na$_0.5$CoO$_2$: Effects of Correlation and Symmetry
Phys. Rev. Lett. 96, 096403 (2006)
K.-W. Lee and W. E. Pickett
Boron spectral density and disorder broadening in B-doped diamond
Phys. Rev. B 73, 075105 (2006)
2005
G. Sheet, H. Rosner, S. Wirth
High spin polarization in the ferromagnetic filled skutterudites KFe$_4$Sb$_12$ and NaFe$_4$Sb$_12$
Phys. Rev. B 72, 180407 (2005)
Lazicki, A., Maddox, B., Evans, W.J., et al.
New cubic phase of Li$_3$N: Stability of the N$_3$-ion to 200 GPa
Phys. Rev. Lett. 95 (2005) 165503
K.-W. Lee and W. E. Pickett
Crystal symmetry, electron-phonon coupling, and superconducting tendencies in Li2Pd3B and Li2Pt3B
Phys. Rev. B 72, 174505 (2005)
F. Schiller, R. Keyling, E.V. Chulkov and J.E. Ortega
Surface State Scattering at a Buried Interface
Phys. Rev. Lett. 95 (2005) 126402
D. Mertz, R. Hayn, I. Opahle and H. Rosner
Calculated magnetocrystalline anisotropy and magnetic moment distribution in Li_2CuO_2
Phys. Rev. B 72 (2005) 085133
J. Lyubina, I. Opahle, K.-H. Müller, O. Gutfleisch, M. Richter, M. Wolf and L. Schultz
Magnetocrystalline anisotropy in L1_0FePt and exchange coupling in FePT/Fe_3Pt nanocomposites
J.Phys. - Condens. Matter 17 (2005) 4157-4170
K.-W. Lee and W. E. Pickett
Na$_x$CoO$_2$ in the x -> 0 Regime: Coupling of Structure and Correlation effects
Phys. Rev. B 72, 115110 (2005)
W.Schnelle, A. Leithe-Jasper, M. Schmidt, H. Rosner, H. Borrmann, U. Burkhardt, J.A. Mydosh, Y. Grin
Itinerant iron magnetism in filled skutterudites CaFe4Sb12 and YbFe4Sb12: Stable divalent state of ytterbium
Phys. Rev. B 72 (2005) 020402
Stefano Leoni, Rainer Niewa, Lev Akselrud, Yurii Prots, Walter Schnelle, Tahsin Göksu, Mehmet Cetinkol, Mehmet Somer, Rüdiger Kniep
Novel Barium Beryllates Ba[Be2N2] and Ba3[Be5O8]: Syntheses, Crystal Structures and Bonding Properties
Z. Anorg. Allg. Chem. 631 (2005) 1818-1824
D. Kasinathan, K.-W. Lee, W. E. Pickett
On Heavy Carbon Doping of MgB$_2$
Physica C 424, 116 (2005)
Enderle M., Mukherjee C., Fak B., et al.
Quantum helimagnetism of the frustrated spin-(1)/(2) chain LiCuVO4
Europhysics Letters 70 (2005) 237-243
Vejpravova J., Divis M., Prokleska J., et al.
Influence, of Mn substitution on magnetic behavior of La(Fe1-xMnx)(2)Si-2 alloys
J. Magn. Magn. Mat. 290 (2005) 621-624
Elgazzar S., Opahle I., Hayn R., et al.
Electronic structure and de Haas-van Alphen quantities of CeMIn5 (M = Co, Rh, and Ir) compounds
J. Magn. Magn. Mat. 290 (2005) 388-391
Kyker A.B.; Pickett W.E.; Gygi F.
Fermiology and Fulde-Ferrell-Larkin-Ovchinnikov phase formation
PRB 71, 224517(2005)
T.Jeong, Ruben Weht and W.E.Pickett
Semimetallic antiferromagnetism in half-Heusler compound CuMnSb
PRB 71,184103(2005)
Ingo Opahle, Manuel Richter, Micheal D. Kuz'min, Ulrike Nitzsche, Klaus Koepernik, and Lutz Schramm
Calculated magnetocrystalline anisotropy of existing and hypothetical MCo5 compounds
J. Magn. Magn. Mat. 290-291 (2005) 374-377
N. Kozlova, J. Hagel, M. Doerr, J. Wosnitza, D. Eckert, K.-H. Müller, L. Schultz, I. Opahle, S. Elgazzar, Manuel Richter, G. Goll, H. v. Löhneysen, G. Zwicknagl, T. Yoshino, T. Takabatake
Magnetic-field induced band-structure change in CeBiPt
Phys. Rev. Lett. 95 (2005) 086403
Mahdi Sargolzaei, Ingo Opahle, Manuel Richter, Klaus Koepernik, Ulrike Nitzsche, Helmut Eschrig
Magnetic properties of Co impurities in bulk Au: DFT calculations
J. Magn. Magn. Mat. 290-291 (2005) 364-366
Bostrom M, Rosner H, Prots Y, Burkhardt U, Grin Y
The Co2Al9 structure type revisited
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 631 (2005) 534-541
Gabler F, Kirchner M, Schnelle W, Schmitt M, Rosner H, Niewa R
(Sr3Nx)E and (Ba3Nx)E (E = Sn, Pb): Preparation, crystal structures, physical properties and electronic structures
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 631 (2005) 397-402
K.-W. Lee, J. Kunes, P. Novak, and W. E. Pickett
Disproportionation, Metal-Insulator Transition, and Critical Interaction Strength in Na1/2CoO2
Phys. Rev. Lett. 94, 026403 (2005)
2004
Kordyuk AA, Borisenko SV, Yaresko AN, Drechsler SL, Rosner H, Kim TK, Koitzsch A, Nenkov KA, Knupfer M, Fink J, Follath R, Berger H, Keimer B, Ono S, Ando Y
Evidence for CuO conducting band splitting in the nodal direction of Bi2Sr2CaCu2O8+delta
PHYSICAL REVIEW B 70 (2004) 214525
Leithe-Jasper A, Schnelle W, Rosner H, Baenitz M, Rabis A, Gippius A A, Morozova EN, Borrmann H, Burkhardt U, Ramlau R, Schwarz U, Mydosh JA, Grin Y, Ksenofontov V, Reiman S
Weak itinerant ferromagnetism and electronic and crystal structures of alkali-metal iron antimonides: NaFe4Sb12 and KFe4Sb12
PHYSICAL REVIEW B 70 (2004) 214418
D.M. Bercha, I.V. Slipukhina, M. Sznajder, K.Z. Rushchanskii
Elementary energy bands in the band structure of the narrow-band-gap semiconductor CdSb
Physical Review B 70, 235206 (2004)
Gabler F, Kirchner M, Schnelle W, et al.
(Sr3N)E and (Ba3N)E (E = Sb, Bi): Synthesis, crystal structures, and physical properties
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 630 (2004) 2292-2298
Walte A, Fuchs G, Muller KH, et al.
Evidence for strong electron-phonon coupling in MgCNi3
PHYSICAL REVIEW B 70 (2004) 174503
M.D. Kuz'min, Y. Skourski, D. Eckert, M. Richter, K.-H. Müller, K.P. Skokov, I.S. Tereshina
Spin reorientation in high magnetic field and the Co-Gd exchange field in GdCo$_5$
Phys. Rev. B 70, 172412 (2004)
J.Kunes,T.Jeong, W.E.Pickett
Correlation effects and structural dynamics in the beta-pyrochlore superconductor KOs2O6
Phys. Rev. B. 70 174510 (2004)
Opahle I, Elgazzar S, Koepernik K, et al.
Electronic structure of the Pu-based superconductor PuCoGa5 and of related actinide-115 compounds
PHYSICAL REVIEW B 70 (10): Art. No. 104504 SEP 2004
Drechsler SL, Rosner H, Opahle I, et al.
Electronic structure and anisotropic superconductivity in diborides and borocarbides
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 408-10: 104-106 AUG 2004
Chaplygin I, Hayn R
Sb2O2VO3 as a candidate for an ideal inorganic spin-Peierls compound
PHYSICAL REVIEW B 70 (6): Art. No. 064510 AUG 2004
Ormeci A, Rosner H
Electronic structure and bonding in antimony and its high pressure phases
ZEITSCHRIFT FUR KRISTALLOGRAPHIE 219 (6): 370-375 2004
Y. Al-Douri
Structural phase transition of boron nitride compound
Solid State Commun. 132, 465 (2004)
K.-W. Lee and W. E. Pickett
Infinite-layer LaNiO2: Ni(+1) is not Cu(+2)
Phys. Rev. B 70, 165109 (2004)
M. Somer, A. Yarasik, L. Akselrud, S. Leoni, H. Rosner, W. Schnelle, R. Kniep
Ae[Be2N2]: Nitridoberyllates of the heavier alkaline-earth metals
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43, 1088-1092 (2004)
A.A. Gippius, E.N. Morozova, A.S. Moskvin, A.V. Zalessky, A.A. Bush, M. Baenitz, H. Rosner, S.L. Drechsler
NMR and local-density-approximation evidence for spiral magnetic order in the chain cuprate LiCu2O2
PHYSICAL REVIEW B 70, 020406 (2004)
D.X. Li, S. Nimori, Y. Shiokawa, Y. Haga, T.D. Matsuda, S. Ikeda, Y. Onuki
Superconductivity in La3Rh2Ge2 and La3Pt2Ge2
IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY 14, 1137-1140 (2004)
T. Saha-Dasgupta, R. Valenti, H. Rosner, C. Gros
TiOCl, an orbital-ordered system?
EUROPHYSICS LETTERS 67, 63-69 (2004)
L. Berbil-Bautista, T. Hänke, M. Getzlaff, R. Wiesendanger, I. Opahle, K. Koepernik, and Manuel Richter
Observation of 5f-states on U/W(110) films by means of Scanning Tunneling Spectroscopy
Phys. Rev. B 70, 113401 (2004)
D. Vyalikh, Manuel Richter, Yu. Dedkov, and S. Molodtsov
Oscillations in photoemission from Cr/Fe/W(100) and Cr/W(100)
J. Magn. Magn. Mat. 272--276, 1147-1148 (2004)
Ulrike Nitzsche, Manuel Richter, Igor Chaplygin, Klaus Koepernik, Ingo Opahle, and Helmut Eschrig
Electronic Structure and Magnetostriction in Bulk Gadolinium
J. Magn. Magn. Mat. 272--276, E249-E250 (2004)
Manuel Richter, Jan Rusz, Helge Rosner, Klaus Koepernik, Ingo Opahle, Ulrike Nitzsche, and Helmut Eschrig
Unconventional Metallic Magnetism in LaCrSb$_3$
J. Magn. Magn. Mat. 272--276, E251-E252 (2004)
F. Schiller, M. Heber, V. D. P. Servedio, and C. Laubschat
Electronic structure of Mg: From monolayers to bulk
Phys. Rev. B 70, 125106 (2004)
T.Jeong, W.E.Pickett
Implications of the B20 Crystal structure for the Magnetoelectronic Structure of MnSi
Phys. Rev. B 70, 075114 (2004)
Martin Divis, Blanka Janousova, Jan Rusz, Vladimir Sechovsky, Manuel Richter, Ingo Opahle
Electronic structure and lattice geometry of LaPtSn
J. Alloys and Compounds 376 (2004) 28
K. -W. Lee, J. Kunes, W. E. Pickett
Charge disproportionation and spin ordering tendencies in Na$_x$CoO$_2$
Phy. Rev. B 70, 045104 (2004)
S. Elgazzar, I. Opahle, R. Hayn, and P. M. Oppeneer
Calculated de Haas-van Alphen quantities of CeMIn5(M=Co, Rh,
and Ir) Compounds
Phys. Rev. B 69 (2004) 214510
Helmut Eschrig, Manuel Richter, and Ingo Opahle
Relativistic Solid State Calculations, in: Relativistic Electronic Structure Theory - Part II: Applications, ed. by P. Schwerdtfeger
Elsevier, Amsterdam 2004
M. Sznajder, D.M. Bercha, K.Z. Rushchanskii
Elementary energy bands in band structure calculations of some wide-bandgap crystals
phys. stat. sol (a) 201, No 2, 304-307 (2004).
2003
Rosner H, Drechsler SL, Fuchs G, Handstein A, Walte A, Muller KH
Electronic structure and aspects of unconventional superconductivity in NaxCoO2 * yH(2)O
BRAZILIAN JOURNAL OF PHYSICS 3, 718, ( 2003)
H. Eschrig, K. Koepernik, and I. Chaplygin
Density functional application to strongly correlated electron systems
J. Solid State Chem. 176 (2003) 482
Tsirelson V, Stash A, Kohout M, et al.
Features of the electron density in magnesium diboride: reconstruction from X-ray diffraction data and comparison with TB-LMTO and FPLO calculations
ACTA CRYSTALLOGR B 59: 575-583
Leithe-Jasper A, Schnelle W, Rosner H, et al.
Ferromagnetic ordering in alkali-metal iron antimonides: NaFe4Sb12 and KFe4Sb12
PHYS REV LETT 91 (3): Art. No. 037208
Valenti R, Saha-Dasgupta T, Gros C, et al.
Halogen-mediated exchange in the coupled-tetrahedra quantum spin systems Cu2Te2O5X2 (X=Br,Cl)
PHYS REV B 67 (24): Art. No. 245110
Schwarz U, Akselrud L, Rosner H, et al.
Structure and stability of the modulated phase Sb-II
PHYS REV B 67 (21): Art. No. 214101
Kaul EE, Rosner H, Yushankhai V, et al.
Sr2V3O9 and Ba2V3O9: Quasi-one-dimensional spin-systems with an anomalous low temperature susceptibility
PHYS REV B 67 (17): Art. No. 174417
Rosner H, Johannes MD, Pickett WE, et al.
Superconductivity and electronic structure in MgCNi3
PHYSICA C 388: 563-564
Drechsler SL, Rosner H, An JM, et al.
Conventional electronic structure of MgB2 and ZrB2: LDA vs. de Haas-v. Alphen & ARPES data
J LOW TEMP PHYS 131 (5-6): 1175-1180
Drechsler SL, Rosner H, Paasch G, et al.
Analysis of possible field-induced superconductivity in anthracene, other polyacenes, and C-60
J LOW TEMP PHYS 131 (5-6): 1245-1249
Opahle I, Oppeneer PM
Superconductivity caused by the pairing of plutonium 5f electrons in PuCoGa5
PHYS REV LETT 90 (2003) 157001
Molodtsov SL, Schiller F, Danzenbacher S, Richter M, Avila J, Laubschat C, Asensio MC
Folded bands in photoemission spectra of La-graphite intercalation compounds
PHYS REV B 67 (2003) 115105
An JM, Rosner H, Savrasov SY, Pickett WE
Vibrational modes in LiBC: theory and experiment
PHYSICA B 328 (2003) 1-5
Rosner H, Singh RRP, Pickett WE, Zheng WH, Oitmaa J
Magnetic Hamiltonians for Li2VOSiO4 and Li2VOGeO4
ACTA PHYS POL B 34 (2003) 1505-1508
Kim TK, Rosner H, Drechsler SL, et al.
Unusual electronic structure of the pseudoladder compound CaCu2O3
PHYS REV B 67 (2003) 024516
Rosner H, Singh RRP, Zheng WH, et al.
High-temperature expansions for the J(1)-J(2) Heisenberg models: Applications to ab initio calculated models for Li2VOSiO4 and Li2VOGeO4
PHYS REV B 67 (2003) 014416
Rosner H, Pickett WE
Theoretical investigation of stoichiometric lithium monoboride
PHYS REV B 67 (2003) 054104
2002
S. Elgazzar, P. M. Oppeneer, S.-L. Drechsler, R. Hayn, and H. Rosner
Calculated de Haas-van Alphen Data and Plasma Frequencies of MgB2 and TaB2
MgB2 and TaB2
Solid State Commun. 121, 99 (2002)
Rosner H, An JM, Pickett WE, et al.
Fermi surfaces of diborides: MgB2 and ZrB2
Phys. Rev. B 66: art. no. 024521
Drechsler SL, Paasch G, Malek J, Shulga SV, Eschrig H, Rosner H
Theoretical aspects of the field induced superconductivity in polyacenes and C-60
Int. J. Mod. Phys. B 16: 1547-1551
Rosner H, Singh RRP, Pickett WE, Zheng WH, Oitmaa J
Electronic structure and exchange in Li2VOSiO4
Int. J. Mod. Phys. B 16: 1649-1653
Sampathkumaran EV, Majumdar S, Schneider W, Molodtsov SL, Laubschat C
Superconductivity in Y2PdGe3
Physica B 312: 152-154
Rosner H, Singh RRP, Zheng WH, Oitmaa J, Drechsler SL, Pickett WE
Realization of a large J(2) quasi-2D spin-half Heisenberg system: Li2VOSiO4
Phys. Rev. Lett. 88: art. no. 186405
Rosner H, Kitaigorodsky A, Pickett WE
Prediction of high T-c superconductivity in hole-doped LiBC
Phys. Rev. Lett. 88: art. no. 127001
Kuz'min MD, Steinbeck L, Richter M
Exchange and crystal field in Sm-based magnets. II. Phenomenological analysis and density functional calculations
Phys. Rev. B 65: art. no. 064409
Rosner H, Weht R, Johannes MD, et al.
Superconductivity near ferromagnetism in MgCNi3
Phys. Rev. Lett. 88: art. no. 027001
2001
Schneider M, Lipp D, Gladun A, et al.
Heat and charge transport properties of MgB2
Physica C 363: 6-12
Rosner H, Pickett WE, Drechsler SL, et al.
Electronic structure and weak electron-phonon coupling in TaB2
Phys. Rev. B 64: art. no. 144516
Rosner H, Johannes DM, Drechsler SL
Comment on: ''Energy band structures of the low-dimensional antiferromagnets Sr2CuO3 and Sr2CuO2Cl2'' [J. Appl. Phys. 87, 4897 (2001)]
J. Appl. Phys. 90: 4880-4881
Foerster D, Hayn R, Pruschke T, et al.
Metal-insulator transition in TlSr2CoO5 from orbital degeneracy and spin disproportionation
Phys. Rev. B 64: art. no. 075104
Ionov AM, Danzenbacher S, Molodtsov SL, et al.
Electronic structure of carbolite films
Appl. Surf. Sci. 175: 207-211
Steinbeck L, Richter M, Eschrig H
Itinerant-electron magnetocrystalline anisotropy energy of YCo5 and related compounds
Phys. Rev. B 63: art. no. 184431
Rosner H, Drechsler SL, Koepernik K, et al.
Possibility of a spin-Peierls state in CuSiO3 from electronic structure theory
Phys. Rev. B 63: art. no. 073104
2000
Yushankhai V, Wolf M, Muller KH, et al.
Weak antiferromagnetism due to Dzyaloshinskii-Moriya interaction in Ba3Cu2O4Cl2
Phys. Rev. B 62: 14229-14236
Danzenbacher S, Molodtsov SL, Koepernik K, et al.
Electronic structure of TiSe2 and TiSe2 intercalated with Eu
Mol. Cryst. Liq. Cryst. 341: 849-854
Opahle I, Koepernik K, Eschrig H
Full potential band structure calculation of iron pyrite
Comp. Mater. Sci. 17: 206-210
Rosner H, Divis M, Koepernik K, et al.
Comment on 'The electronic structure of CaCuO2 and SrCuO2'
J. Phys. Condens. Mat. 12: 5809-5812
Duo L, Bertacco R, Isella G, et al.
Electronic and magnetic properties of the Co/Fe(001) interface and the role of oxygen
Phys. Rev. B 61: 15294-15301
1999
Opahle I, Koepernik K, Eschrig H
Full-potential band-structure calculation of iron pyrite
Phys. Rev. B 60: 14035-14041
Chaplygin I, Hayn R, Koepernik K
Electronic structure of the spin-1/2 chain compound MgVO3
Phys. Rev. B 60: R12557-R12560
Koepernik K, Eschrig H
Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme
Phys. Rev. B 59: 1743-1757