Search Results - "Kaprzyk, S."

Electronic structure and thermoelectric properties of n - and p -type SnSe from first-principles calculations by Kutorasinski, K., Wiendlocha, B., Kaprzyk, S., Tobola, J.

“…We present results of the electronic band structure, Fermi surface, and electron transport property calculations in the orthorhombic and type SnSe, applying…”
Get full text

An algebraic formulation and implementation of the tetrahedron linear method for the Brillouin zone integration of spectral functions by Kaprzyk, S.

“…A package of FORTRAN subroutines is provided for the Brillouin zone (BZ) integration of the Greenʼs functions (GF) and spectral functions. The relevant…”
Get full text

Recent progress in calculations of electronic and transport properties of disordered thermoelectric materials by Wiendlocha, B., Kutorasinski, K., Kaprzyk, S., Tobola, J.

“…Results of electronic structure calculations in disordered thermoelectric materials are presented using KKR-CPA technique. Firstly, it is applied to detect the…”
Get full text

An algebraic formulation of the simplex linear method for multiple integrals over the d-dimensional domain by Kaprzyk, S.

“…We present the systematic treatment of multiple integrals over a simplex of the dimensionality d ( d-simplex). The integrand is an analytical function in a…”
Get full text

A Theoretical Search for Efficient Dopants in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials by Zwolenski, P., Tobola, J., Kaprzyk, S.

“…Intentional alloying and doping are well-established ways of improving the thermoelectric properties of Mg 2 X (X = Si, Ge, Sn). In this study the results of…”
Get full text

KKR–CPA study of electronic structure and relative stability of Mg2X (X=Si, Ge, Sn) thermoelectrics containing point defects by Zwolenski, P., Tobola, J., Kaprzyk, S.

“…•Point defects are studied theoretically in Mg2X (X=Si, Ge or Sn) thermoelectrics.•Their influence on DOS and formation energy is calculated from KKR–CPA…”
Get full text

Superconductivity of Ta34Nb33Hf8Zr14Ti11 high entropy alloy from first principles calculations by Jasiewicz, K., Wiendlocha, B., Korbeń, P., Kaprzyk, S., Tobola, J.

“…The Korringa–Kohn–Rostoker method with the coherent potental approximation (KKR‐CPA) is applied to study the first superconducting high entropy alloy (HEA)…”
Get full text

Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy by Suzuki, K, Barbiellini, B, Orikasa, Y, Go, N, Sakurai, H, Kaprzyk, S, Itou, M, Yamamoto, K, Uchimoto, Y, Wang, Yung Jui, Hafiz, H, Bansil, A, Sakurai, Y

“…We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution…”
Get full text

Application of Boltzmann transport theory to disordered thermoelectric materials: Ti(Fe,Co,Ni)Sb half-Heusler alloys by Kutorasinski, K., Tobola, J., Kaprzyk, S.

“…Boltzmann transport theory with constant relaxation time approximation is applied to calculate electron transport coefficients in disordered multi‐atom alloys…”
Get full text

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering by Barbiellini, B., Suzuki, K., Orikasa, Y., Kaprzyk, S., Itou, M., Yamamoto, K., Wang, Yung Jui, Hafiz, H., Yamada, R., Uchimoto, Y., Bansil, A., Sakurai, Y., Sakurai, H.

“…We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the…”
Get full text

Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering by Sakurai, Y., Itou, M., Barbiellini, B., Mijnarends, P. E., Markiewicz, R. S., Kaprzyk, S., Gillet, J.-M., Wakimoto, S., Fujita, M., Basak, S., Wang, Yung Jui, Al-Sawai, W., Lin, H., Bansil, A., Yamada, K.

“…The high-temperature superconducting cuprate La 2−x Sr x CuO₄ (LSCO) shows several phases ranging from antiferromagnetic insulator to metal with increasing…”
Get full text

Effect of substitutions and defects in half-Heusler FeVSb studied by electron transport measurements and KKR-CPA electronic structure calculations by JODIN, L, TOBOLA, J, PECHEUR, P, SCHERRER, H, KAPRZYK, S

“…The structural and electron transport properties of the pure and Co-, Ti-, and Zr-substituted FeVSb half-Heusler phases have been investigated using x-ray…”
Get full text

Electronic Structure and Thermoelectric Properties of Pseudoquaternary Mg2Si1-x-ySnxGey-Based Materials by Kutorasinski, K., Tobola, J., Kaprzyk, S., Khan, A.U., Kyratsi, Th

“…A theoretical study is presented on complex pseudoternary Bi-doped Mg 2 Si 1 - x - y Sn x Ge y materials, which have recently been revealed to reach high…”
Get full text

Electronic structure, superconductivity and magnetism study of Cr3GaN and Cr3RhN by Wiendlocha, B, Tobola, J, Kaprzyk, S, Fruchart, D

“…The intermetallic perovskite compounds Cr3GaN and Cr3RhN were theoretically investigated, using the Korringa-Kohn-Rostoker method, as possible candidates for…”
Get full text

Lindhard and RPA susceptibility computations in extended momentum space in electron-doped cuprates by Wang, Yung Jui, Barbiellini, B., Lin, Hsin, Das, Tanmoy, Basak, Susmita, Mijnarends, P. E., Kaprzyk, S., Markiewicz, R. S., Bansil, A.

“…We present an approximation for efficient calculation of the Lindhard susceptibility chi super(L) (q, omega ) in a periodic system through the use of simple…”
Get full text

Surfaces of colloidal PbSe nanocrystals probed by thin-film positron annihilation spectroscopy by Chai, L., Al-Sawai, W., Gao, Y., Houtepen, A. J., Mijnarends, P. E., Barbiellini, B., Schut, H., van Schaarenburg, L. C., van Huis, M. A., Ravelli, L., Egger, W., Kaprzyk, S., Bansil, A., Eijt, S. W. H.

“…Positron annihilation lifetime spectroscopy and positron-electron momentum density (PEMD) studies on multilayers of PbSe nanocrystals (NCs), supported by…”
Get full text

Theoretical search for magnetic half-Heusler semiconductors by Toboła, J., Kaprzyk, S., Pecheur, P.

“…Electronic structure and magnetic properties of half‐Heusler FeV1–xMnxSb, CoTi1–xMnxSb and RhZr1–xMnxSb for x ≤ 0.1 are studied from KKR‐CPA computations…”
Get full text

Spin moment over 10–300 K and delocalization of magnetic electrons above the Verwey transition in magnetite by 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…”
Get full text

Crystal structure, electrical transport properties and electronic structure of the VFe1-xCuxSb solid solution by STADNYK, Yu, HORYN, A, SECHOVSKY, V, ROMAKA, L, MUDRYK, Ya, TOBOLA, J, STOPA, T, KAPRZYK, S, KOLOMIETS, A

“…The electrical transport properties, crystal structure and electronic structure of the VFe1-xCuxSb solid solution (0 < x < 0.2) were studied. The stability…”
Get full text

Competition of ferromagnetism and superconductivity in Sc3InB by Wiendlocha, B., Tobola, J., Kaprzyk, S., Fruchart, D., Marcus, J.

“…We present results of electronic structure calculations for the intermetallic perovskite Sc3InB with the full‐potential KKR‐LDA method. Sc3InB is a very…”
Get full text