Wiendlocha, B., Tobola, J., Kaprzyk, S., Zach, R., Hlil, E. K., Fruchart, D.
An analysis of the magnetocaloric properties of the pure and substituted Fe2P compounds is made based on KKR-CPA electronic structure calculations and magnetisation M(H,T) measurements. The computed...
Electronic structure of the noncentrosymmetric superconductor Mg10Ir19B16 (2007)
Wiendlocha, B., Tobola, J., Kaprzyk, S.
Electronic structure of a novel superconducting noncentrosymmetric compound Mg10Ir19B16 was calculated using the Korringa-Kohn-Rostoker method. Electronic part of the electron-phonon coupling...
Li, Yinwan, Montano, P. A., Barbiellini, B., Mijnarends, P. E., Kaprzyk, S., Bansil, A.
In order to probe the magnetic ground state, we have carried out temperature dependent magnetic Compton scattering experiments on an oriented single crystal of magnetite (Fe$_3$O$_4$), together with...
Anomalous electronic correlations in ground state momentum density of Al$_{97}$Li$_3$ (2006)
Kwiatkowska, J., Barbiellini, B., Kaprzyk, S., Bansil, A., Kawata, H., Shiotani, N.
We report high resolution Compton scattering measurements on an Al$_{97}$Li$_3$ disordered alloy single crystal for momentum transfer along the [100], [110] and [111] symmetry directions. The results...
Wiendlocha, B., Tobola, J., Kaprzyk, S.
A possibility for a new family of intermetallic perovskite superconductors Sc3XB, with X = Tl, In, Ga and Al, is presented as a result of KKR electronic structure and pseudopotential phonon...
Competition of ferromagnetism and superconductivity in Sc3InB (2005)
Wiendlocha, B., Tobola, J., Kaprzyk, S., Fruchart, D., Marcus, J.
We present results of electronic structure calculations for intermetallic perovskite Sc3InB with Full--Potential KKR-LDA method. Sc3InB is very promising candidate for a new superconductor (related...
Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites (2005)
Barbiellini, B., Mijnarends, P. E., Kaprzyk, S., Bansil, A., Li, Yinwan, Mitchell, J. F., ...
We consider the shape of the magnetic Compton profile (MCP), $J_{mag}(p_z)$, in La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$ for momentum transfer $p_z$ along the [110] direction and the associated reciprocal...
Mijnarends, P. E., Kaprzyk, S., Barbiellini, B., Bansil, A., Li, Yinwan, Mitchell, J. F., ...
We have carried out first principles, all-electron computations of the magnetic momentum density $\rho_{mag}({\mathbf p})$ and magnetic Compton profiles (MCPs) for momentum transfer along the [100],...
Klosek, V., Tobola, J., Verniere, A., Kaprzyk, S., Malaman, B.
Electronic structure calculations, using the charge and spin self-consistent Korringa- Kohn-Rostoker (KKR) method, have been performed for several $R$Mn$X$ compounds ($R$ = Mg, Ca, Sr, Ba, Y; $X$ =...
Li, Yinwan, Montano, P. A., Mitchell, J. F., Barbiellini, B., Mijnarends, P. E., Kaprzyk, S., ...
We have measured temperature-dependent magnetic Compton profiles (MCPs) from a single crystal of La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$. The MCPs, which involved the scattering of circularly polarized...
Linear aspects of the KKR formalism (2004)
Stopa, T., Kaprzyk, S., Tobola, J.
We present one-dimensional KKR method with the aim to elucidate its linear features, particularly important in optimizing the numerical algorithms in energy bands computations. The conventional KKR...
Electron momentum density in Cu0.9Al0.1 (2002)
Samsel-Czekala, M., Kontrym-Sznajd, G., Doring, G., Schulke, W., Kwiatkowska, J., Maniawski, F., ...
A reconstruction technique based on the solution of the Radon transform in terms of Jacobi polynomials is used to obtain the 3D electron momentum density rho(p) from nine high-resolution Compton...
Reconstructed Momentum Density and Fermi Surface in Cu0.9Al0.1 (2002)
Samsel-Czekala, M., Kontrym-Sznajd, G., Doring, G., Schulke, W., Kaprzyk, S., Bansil, A., ...
A reconstruction technique based on Radon transforms is used to obtain 3D electron momentum density rho(p) using nine recently measured high-resolution Compton profiles (CPs) from a Cu_{0.9}Al_{0.1}...
Matsumoto, I., Kwiatkowska, J., Maniawski, F., Itou, M., Kawata, H., Shiotani, N., ...
We present a novel technique for enhancing Fermi surface (FS) signatures in the 2D distribution obtained after the 3D momentum density in a crystal is projected along a specific direction in momentum...
A High-Resolution Compton Scattering Study of the Electron Momentum Density in Al (2000)
Ohata, T., Itou, M., Matsumoto, I., Sakurai, Y., Kawata, H., Shiotani, N., ...
We report high-resolution Compton profiles (CP's) of Al along the three principal symmetry directions at a photon energy of 59.38 keV, together with corresponding highly accurate theoretical profiles...
(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....
High-resolution Compton scattering study of the electron momentum density in Al (2000)
Matsumoto, I., Sakurai, Y., Kawata, H., Shiotani, N., Kaprzyk, S., ...
A Fermi Surface study of Ba$_{1-x}$K$_{x}$BiO$_{3}$ (1999)
Sahrakorpi, S., Barbiellini, B., Markiewicz, R. S., Kaprzyk, S., Lindroos, M., Bansil, A.
We present all electron computations of the 3D Fermi surfaces (FS's) in Ba$_{1-x}$K$_{x}$BiO$_{3}$ for a number of different compositions based on the selfconsistent Korringa-Kohn-Rostoker...
Bansil, A., Kaprzyk, S., Mijnarends, P. E., ToboĊa, J.
We present first principles charge- and spin-selfconsistent electronic structure computations on the Heusler-type disordered alloys Fe$_{3-x}$V$_{x}$X for three different metalloids X=(Si, Ga and...
Van Laar, B., Maniawski, F., Kaprzyk, S.
The different methods for the analysis of magnetic form factors of 3d-metals are described. The results of the form factor fitting method as given in the literature indicate the presence of a uniform...
Van Laar, B., Maniawski, F., Kaprzyk, S.
The different methods for the analysis of magnetic form factors of 3d-metals are described. The results of the form factor fitting method as given in the literature indicate the presence of a uniform...
Van Laar, B., Maniawski, F., Kaprzyk, S.
The different methods for the analysis of magnetic form factors of 3d-metals are described. The results of the form factor fitting method as given in the literature indicate the presence of a uniform...