Crystal growth, electronic structure, and properties of Ni-substituted FeGa₃

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• 作者：Maxim S. Likhanov^a ; Valeriy Yu. Verchenko^a ; ^b ; Mikhail A. Bykov^a ; Alexander A. Tsirlin^b ; ^c ; Andrei A. Gippius^d ; ^e ; David Berthebaud^f ; Antoine Maignan^f ; Andrei V. Shevelkov^a ; ^{shev@inorg.chem.msu.ru" class="auth_mail" title="E-mail the corresponding author}
• 关键词：Intermetallic compounds ; Crystal growth ; Electronic structure ; NQR ; Magnetic properties ; Thermoelectric properties
• 刊名：Journal of Solid State Chemistry
• 出版年：2016
• 出版时间：April 2016
• 年：2016
• 卷：236
• 期：Complete
• 页码：166-172
• 全文大小：1206 K

文摘

Crystals of the Fe_1−xNi_xGa₃ limited solid solution (x<0.045) have been grown from gallium flux. We have explored the electronic structure as well as magnetic and thermoelectric properties of Fe_0.975Ni_0.025Ga₃ in comparison with Fe_0.95Co_0.05Ga₃, following the rigid band approach and assuming that one Ni atom donates twice the number of electrons as one Co atom. However, important differences between the Co- and Ni-doped compounds are found below 620 K, which is the temperature of the metal-to-insulator transition for both compounds. We have found that Fe_0.975Ni_0.025Ga₃ displays lower degree of spatial inhomogeneity on the local level and exhibits diamagnetic behavior with a broad shallow minimum in the magnetic susceptibility near 35 K, in sharp contrast with the Curie–Weiss paramagnetism of Fe_0.95Co_0.05Ga₃. Transport measurements have shown the maximum of the thermoelectric figure-of-merit ZT of 0.09 and 0.14 at 620 K for Fe_0.975Ni_0.025Ga₃ and Fe_0.95Co_0.05Ga₃, respectively.