Crystal structure and physical properties of (Ti,Sc)NiSn and (Zr,Sc)NiSn solid solutions

Horyń, A.; Bodak, Ο. I.; Romaka, L.; Gorelenko, Yu.; Tkachuk, Andriy V.; Davydov, V. N.; Stadnyk, Yu.

doi:10.1016/s0925-8388(03)00448-1

Cited by 32 publications

(25 citation statements)

References 2 publications

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“…For the crystal structure refinements of the new compounds, we used the powder patterns obtained on the HZG-4A automatic diffractometer (CuK␣ radiation). The calculations of the theoretical patterns and crystal structure parameters were performed using the CSD program package [6,7].…”

Section: Methodsmentioning

confidence: 99%

Electronic structure of the Ti1−xScxNiSn and Zr1−xScxNiSn solid solutions

Romaka

Stadnyk

Horyń

et al. 2005

Journal of Alloys and Compounds

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Section: Methodsmentioning

confidence: 99%

Electronic structure of the Ti1−xScxNiSn and Zr1−xScxNiSn solid solutions

Romaka

Stadnyk

Horyń

et al. 2005

Journal of Alloys and Compounds

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“…Yang 12 evaluated theoretically the thermoelectric-related electrical transport properties of several Heusler compounds, they calculated the maximum power factors and the corresponding optimal n-or p-type doping levels, which can provide guidance to experimental work. Horyn' et al 13 investigated the effect of a partial substitution of Ti and Zr by Sc on the thermoelectric properties of NiMSn-based compounds and obtained at room temperature a fairly high positive Seebeck coefficient of about 121 V / K with 5% Sc substitution of Zr. Miyamoto et al 14 studied the electronic structures of the Heusler compounds NiMSn by means of photoelectron spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

Electronic transport properties of electron- and hole-doped semiconductingC1bHeusler compounds:NiTi1−x

et al. 2010

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The substitutional series of Heusler compounds NiTi 1−x M x Sn ͑where M = Sc, V and 0 Ͻ x Յ 0.2͒ were synthesized and investigated with respect to their electronic structure and transport properties. The results show the possibility to create n-type and p-type thermoelectrics within one Heusler compound. The electronic structure and transport properties were calculated by all-electron ab initio methods and compared to the measurements. Hard x-ray photoelectron spectroscopy was carried out and the results are compared to the calculated electronic structure. Pure NiTiSn exhibits massive "in gap" states containing about 0.1 electrons per cell. The comparison of calculations, x-ray diffraction, and photoemission reveals that Ti atoms swapped into the vacant site are responsible for these states. The carrier concentration and temperature dependence of electrical conductivity, Seebeck coefficient, and thermal conductivity were investigated in the range from 10 to 300 K. The experimentally determined electronic structure and transport measurements agree well with the calculations. The sign of the Seebeck coefficient changes from negative for V to positive for Sc substitution. The high n-type and low p-type power factors are explained by differences in the chemical-disorder scatteringinduced electric resistivity. Major differences appear because p-type doping ͑Sc͒ creates holes in the triply degenerate valence band at ⌫ whereas n-type doping ͑V͒ fills electrons in the single conduction band above the indirect gap at X what is typical for all semiconducting transition-metal-based Heusler compounds with C1 b structure.

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“…From this point of view it was extremely interesting to study the behavior of resistivity (ρ), thermopower (S) and magnetic susceptibility (χ), while replacing the IV group element Zr(4d 2 5s 2 ) by the III group element Sc(3d 1 4s 2 ) in the crystal structure of the ZrNiSn solid solution range [9]. In other words, the influence of acceptor impurity doping of different concentrations (N A ) in the range from N A = 3.5 × 10 20 cm −3 (x = 0.02) to N A = 5.3 × 10 21 cm −3 (x = 0.15) on the electrical properties of the n-ZrNiSn semiconductor will be studied.…”

Section: Introductionmentioning

confidence: 99%