An understanding of spin excitations in cuprates is essential since the mechanism of high-T$_C$ superconductivity might be linked to spin fluctuations. Band calculations for long "1-dimensional" unit...
Properties of high-T$_C$ copper oxides from the nearly-free electron model (2007)
The generic band structure of high-T$_C$ copper oxides is simulated by the nearly free-electron model (NFE) in two dimensions (2-D) with parameters from band calculations. Interaction between phonons...
The spectral weight (SW) for optical transitions in FeSi and MnSi are calculated as function of temperature by means of LMTO-LDA band calculations. The main effects, caused by structural disorder and...
Optical evidence for heavy charge carriers in FeGe (2007)
Guritanu, V., Teyssier, J., Jarlborg, T., Wilhelm, H., Schmidt, M., ...
The optical spectrum of the cubic helimagnetic metal FeGe has been investigated in the frequency range from 0.01 - 3.1 eV for different temperatures from 30 K to 296 K. The optical conductivity shows...
Metallic State in Cubic FeGe Beyond Its Quantum Phase Transition (2007)
Pedrazzini, P., Wilhelm, H., Jaccard, D., Jarlborg, T., Schmidt, M., Hanfland, M., ...
Optical evidence for heavy charge carriers in FeGe (2007)
Guritanu, V., Teyssier, J., Jarlborg, T., Wilhelm, H., Schmidt, M., ...
The properties of Cu$_{x}$TiSe$_{2}$ are studied by band structure calculation based on the density functional theory for supercells. The density-of-states (DOS) for $x$=0 has a sharply raising...
Metallic State in Cubic FeGe beyond its Quantum Phase Transition (2006)
Pedrazzini, P., Wilhelm, H., Jaccard, D., Jarlborg, T., Schmidt, M., Hanfland, M., ...
We report on results of electrical resistivity and structural investigations on the cubic modification of FeGe under high pressure. The long-wavelength helical order ($T_C=280$ K) is suppressed at a...
Effects of spin-phonon interaction on the properties of in high-T$_C$ superconductors (2006)
The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the...
Spin-Phonon Coupling in High-T_c Copper Oxides (2005)
Band calculations on HgBa$_2$CuO$_4$ and La$_{(2-x)}$Sr$_x$CuO$_4$ with phonon and spin-waves within the CuO planes show that partial gaps are created at various energies depending on wavelengths....
Electronic structure and magnetism for FeSi$_{(1-x)}$Ge$_x$ from supercell calculations (2004)
Recent studies of FeSi$_{(1-x)}$Ge$_x$, which found a transition from an insulating to a magnetic metallic state near $x$=0.25, have revived the discussion about the role of strong correlation in...
Results from different sets of band calculations for undoped and doped HgBa$_2$CuO$_4$ show that small changes in localization can lead to very different ground states. The normal LDA results are...
Major, Z, Dugdale, SB, Watts, RJ, Santi, G, Alam, MA, Hayden, S M, ...
Spin-phonon interaction and band effects in the high-T_C superconductor HgBa_2CuO_4 (2003)
Band calculations show that a stripe-like anti-ferromagnetic spin wave is enforced by a 'half-breathing' phonon distortion within the CuO plane of HgBa_2CuO_4. This spin-phonon coupling is increased...
Temperature dependence of magnetism near defects in SrB_6 (2003)
The T-dependence of magnetic moments in SrB_6 is studied through spin-polarized band calculations for a supercell of Sr_{27}B_{156} containing a B_6 vacancy. The magnetic moment decays rather quickly...
Electronic structure and magnetism in X_xW_{1-x}O_3 (X=Nb,V,Re) from supercell calculations (2003)
Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and conditions for magnetism in a supercells of...
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure...
High purity iron, which transforms into the hcp phase under pressure, has recently been reported to be superconducing in the pressure range 150-300 kBar [shim]. The electronic structure and the...
Effects of coupling between phonon distortions and stripe-like spin waves in the CuO plane of HgBa$_2$CuO$_4$ are studied by band calculations. Local exchange enhancements depend sensitively on the...
Santi, G., Dugdale, S. B., Jarlborg, T.
The recent discovery of superconductivity coexisting with weak itinerant ferromagnetism in the $d$-electron intermetallic compound ZrZn$_{2}$ strongly suggests spin-fluctuation mediated...
Electronic structure, magnetism and superconductivity of MgCNi$_{3}$ (2001)
The electronic structure of the newly discovered superconducting perovskite MgCNi$_3$ is calculated using the LMTO and KKR methods. The states near the Fermi energy are found to be dominated by Ni-d....
Electronic structure and magnetism in slightly doped SrB_6 (2001)
Spin-polarized band calculations for supercells of SrB$_{6}$, where a La-, In- or Al- impurity or a vacancy is replacing one Sr, are performed within the local spin density approximation. Moderately...
A theory for spin and lattice couplings to the electronic states in high-T$_C$ oxides is presented, with HgBa$_2$CuO$_4$ as an example. A simple analytical model suggests that the barrel band is...
(2000) 341-344 [59] A Compton scattering study of insulating PrBa (2000)
A. Erb, B. Revaz, T. Buslaps, V. Honki Maki, E. D. Isaacs, A. Shukla, ...
bel, F. Steglich and M. Peter, Phys. Rev. B 55 (1997) 11714-11721 [49] Stochastic Gradient Approximation: An Efficient Method to Optimize Many-body Wave Functions A. Harju, B. Barbiellini, S....
Ferromagnetism below the Stoner limit in La-doped SrB_6 (2000)
Spin-polarized band calculations for LaSr_7B_{48} show a weak ferro-magnetic state. This is despite a low density-of-states (DOS) and a low Stoner factor. The reason for the magnetic state is found...
Nesting properties and anisotropy of the Fermi surface of LuNi$_{2}$B$_{2}$C (1999)
Dugdale, S. B., Alam, M. A., Wilkinson, I., Hughes, R. J., Fisher, I. R., Canfield, P. C., ...
The rare earth nickel borocarbides, with the generic formula $R$Ni$_{2}$B$_{2}$C, have recently been shown to display a rich variety of phenomena. Most striking has been the competition between, and...
Electronic structure without exchange? (1999)
The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger equation with proper boundary conditions. The traditional "exchange" term...
Induced spin polarisation in a ferromagnetic gadolinium-yttrium alloy (1999)
Duffy, J. A., Dugdale, S. B., McCarthy, J. E., Alam, M. A., Cooper, M. J., Palmer, S. B., ...
The first direct evidence of an induced spin moment in Gd(62.4)Y(37.6) is presented. This additional moment, of 0.16 +/- 0.03 Bohr magnetons, arises from polarisation of Y electrons in the alloy. The...
Fermi surface of the colossal magnetoresistance perovskite La_{0.7}Sr_{0.3}MnO_{3} (1998)
Livesay, E. A., West, R. N., Dugdale, S. B., Santi, G., Jarlborg, T.
Materials that exhibit colossal magnetoresistance (CMR) are currently the focus of an intense research effort, driven by the technological applications that their sensitivity lends them to. Using the...
Local density calculations of the electronic structure of FeSi, FeSi_{1-x}Al_x and Fe_{1-x}Ir_xSi systems in the B20 structure are presented. Pure FeSi has a semi-conducting gap of 6 mRy at 0 K....
Positron Annihilation Study of CeCu2Si2 (1997)
Vasumathi,D., Barbiellini,B., Manuel,A. A., Hoffmann,L., Jarlborg,T., Molder,R., ...
Fermi surface of CeCu2Si2 by 2D angular correlation of positron annihilation radiation (1997)
Vasumathi,D., Barbiellini,B., Manuel,A. A., Hoffmann,L., Jarlborg,T., Molder,R., ...
Positron Annihilation Study of CeCu2Si2 (1997)
Vasumathi, D., Barbiellini, B., Manuel, A. A., Hoffmann, L., Jarlborg, T., Molder, R., ...
Fermi surface of CeCu2Si2 by 2D angular correlation of positron annihilation radiation (1997)
Vasumathi, D., Barbiellini, B., Manuel, A. A., Hoffmann, L., Jarlborg, T., Molder, R., ...
s and d-wave symmetries of the solutions of the Eliashberg equations (1996)
Santi, G., Jarlborg, T., Peter, M., Weger, M.
We examine the different possible symmetries of the superconducting gap obtained by solving the Eliashberg equations. We consider an electron-phonon interaction in a strong coupling scenario. The...
Transport Properties, Thermodynamic Properties, and Electronic Structure of SrRuO3 (1996)
Allen, P. B., Berger, H., Chauvet, O., Forro, L., Jarlborg, T., Junod, A., ...
SrRuO$_3$ is a metallic ferromagnet. Its electrical resistivity is reported for temperatures up to 1000K; its Hall coefficient for temperatures up to 300K; its specific heat for temperatures up to...
A mean field interpretation of critical fields in anisotropic superconductors (1985)
Anisotropic magnetic critical fields Hc2 are calculated for anisotropic Fermi surface (FS) models by use of mean field theory in the clean limit. The Hohenberg-Werthamer theory is applied numerically...
A mean field interpretation of critical fields in anisotropic superconductors (1985)
Anisotropic magnetic critical fields Hc2 are calculated for anisotropic Fermi surface (FS) models by use of mean field theory in the clean limit. The Hohenberg-Werthamer theory is applied numerically...
A mean field interpretation of critical fields in anisotropic superconductors (1985)
Anisotropic magnetic critical fields Hc2 are calculated for anisotropic Fermi surface (FS) models by use of mean field theory in the clean limit. The Hohenberg-Werthamer theory is applied numerically...
ELECTRONIC STRUCTURE AND MAGNETISM OF INTERFACES : SANDWICHES AND MODULATED STRUCTURES (1984)
Freeman, A., Xu, Jian-Hua, Ohnishi, S., Jarlborg, T.
It is now recognized that one of the most important developments in the last decade lies in the preparation of synthetic structures on the submicron level. The excitement surrounding this development...
ELECTRONIC STRUCTURE AND MAGNETISM OF INTERFACES : SANDWICHES AND MODULATED STRUCTURES (1984)
Freeman, A., Xu, Jian-Hua, Ohnishi, S., Jarlborg, T.
It is now recognized that one of the most important developments in the last decade lies in the preparation of synthetic structures on the submicron level. The excitement surrounding this development...
ELECTRONIC STRUCTURE AND MAGNETISM OF INTERFACES : SANDWICHES AND MODULATED STRUCTURES (1984)
Freeman, A., Xu, Jian-Hua, Ohnishi, S., Jarlborg, T.
It is now recognized that one of the most important developments in the last decade lies in the preparation of synthetic structures on the submicron level. The excitement surrounding this development...
MAGNETIC ORDERING AND ELECTRONIC STRUCTURE OF CeAl2 (1982)
Jarlborg, T., Freeman, A., Koelling, D.
CeAl2 has attracted considerable attention because of its unusual properties including a proposed competition between Kondo compensation and anti-ferromagnetic spin-density wave ordering observed at...
MAGNETIC ORDERING AND ELECTRONIC STRUCTURE OF CeAl2 (1982)
Jarlborg, T., Freeman, A., Koelling, D.
CeAl2 has attracted considerable attention because of its unusual properties including a proposed competition between Kondo compensation and anti-ferromagnetic spin-density wave ordering observed at...
MAGNETIC ORDERING AND ELECTRONIC STRUCTURE OF CeAl2 (1982)
Jarlborg, T., Freeman, A., Koelling, D.
CeAl2 has attracted considerable attention because of its unusual properties including a proposed competition between Kondo compensation and anti-ferromagnetic spin-density wave ordering observed at...