Conductivity mechanisms in heavy-doped n-ZrNiSn intermetallic semiconductors

Fruchart, D.; Ромака, В. А.; Stadnyk, Yu.; Romaka, L.; Gorelenko, Yu.; Shelyapina, Marina G.; Чекурін, В. Ф.

doi:10.1016/j.jallcom.2006.08.001

Cited by 16 publications

(3 citation statements)

References 19 publications

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“…Notably, the Seebeck and Hall coefficients become negligibly small in the low temperature range. Similar behavior was reported for ZrNiSn; Uher et al 12 suggested the presence of a semimetalÀsemiconductor transition around 150 K, and Fruchart et al, 13 on the other hand, pointed out an impurity band fixing the Fermi level in the Coulomb gap. Our results for Ti 1Àx Ni 1+x Sn consistently support the existence of a defect band originating from interstitial Ni defects, as in model 5.…”

Section: Resultssupporting

confidence: 70%

Study of Electronic Structure and Defect Formation in Ti1−x Ni1+x Sn Half-Heusler Alloys

Hazama

Asahi

Matsubara

et al. 2010

Journal of Elec Materi

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To investigate the electronic structure of TiNiSn-based thermoelectric materials, we systematically synthesized samples, Ti 1Àx Ni 1+x Sn (À0.05 £ x £ 0.05), and performed soft-x-ray photoelectron spectroscopy (XPS) measurements. A peak with a binding energy of about 0.3 eV, not expected from the perfect crystal, was observed in the XPS spectrum, and its intensity became weaker with decreasing x. This peak indicates that defects exist in the x = 0 sample and are reduced with decreasing x. First-principles calculations using several defect models led to the conclusion that interstitial Ni defects in the halfHeusler structure consistently explain the experimental observations, including the XPS spectra and changes in lattice constants.

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Section: Resultssupporting

confidence: 70%

Study of Electronic Structure and Defect Formation in Ti1−x Ni1+x Sn Half-Heusler Alloys

Hazama

Asahi

Matsubara

et al. 2010

Journal of Elec Materi

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“…Currently, there are two views on the nature of donors (a priori doping) and the conductivity mechanisms of the ZrNiSn semiconductor. According to [6], it is caused by a disorder of the initial crystal structure of ZrNiSn (structure type MgAgAs, space group F43m [7]) -the 4a crystallographic site is occupied by ∼1 % of Ni atoms ). This type of disorder generates structural defects of the donor nature.…”

Section: Introductionmentioning

confidence: 99%

Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material

et al. 2021

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Crystal and electronic structure, transport and energy state characteristics of the Zr1−xVx NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determines the electric conductivity of the material, is established. It is shown that energetically expedient is a simultaneous occupation of the 4c position of Ni (3d84s2) atoms by V (3d34s2) atoms, which generates structural defects of the acceptor nature and the impurity acceptor band Ꜫ1A, as well as the 4a position of Zr (4d25s2) atoms, generating structural defects of the donor nature and the impurity donor band Ꜫ2D.

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“…Широкое внедрение этих материалов тормозят не полностью изученные процессы трансформации кристаллической и электронной структур при оптимизации характеристик путем легирования базового полупроводника, что сопровождается непрогнозируемым генерированием структурных дефектов, влияющих на его электронную структуру. Так, при сильном легировании n-ZrNiSn акцепторными примесями M = Cr, Mn, Fe, Co, введенными в полупроводник путем замещения Ni, появляются доноры неизвестной природы [3][4][5][6]. Более логичным было генерирование в ZrNi 1−x M x Sn только акцепторов, поскольку число 3d-электронов Ni больше, чем в Cr, Mn, Fe и Co. Однако кинетические исследования выявили появление доноров, концентрация которых растет вместе с концентрацией примеси.…”

Section: Introductionunclassified

Механизм генерирования донорно-акцепторных пар при сильном легировании n-ZrNiSn акцепторной примесью Ga

Ромака¹,

Rogl²,

Frushart³

et al. 2018

Физика И Техника Полупроводников

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The nature of the mechanism of the simultaneous generation of donor–acceptor pairs under heavy doping of n -ZrNiSn intermetallic semiconductor with the Ga acceptor impurity is established. Such spatial arrangement in the crystal lattice of ZrNiSn_1– x Ga_ x is found when the rate of movement of the Fermi level εF found from calculations of the density distribution of electron states coincides with that experimentally established from dependences lnρ(1/ T ). It is shown that when the Ga impurity atom (4 s ^24 p ^1) occupies the 4 b sites of Sn atoms (5 s ^25 p ^2), structural defects of both acceptor nature and donor nature in the form of vacancies in the 4 b site are simultaneously generated. The results are discussed in the scope of the Shklovskii–Efros model of a heavily doped and compensated semiconductor.

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Conductivity mechanisms in heavy-doped n-ZrNiSn intermetallic semiconductors

Cited by 16 publications

References 19 publications

Study of Electronic Structure and Defect Formation in Ti1−x Ni1+x Sn Half-Heusler Alloys

Study of Electronic Structure and Defect Formation in Ti1−x Ni1+x Sn Half-Heusler Alloys

Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material

Механизм генерирования донорно-акцепторных пар при сильном легировании n-ZrNiSn акцепторной примесью Ga

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