M 17 Magnetic Properties and Electronic Structure of the LaGaO3 Perovskite Doped with Nickel / N. V. Chezhina, E. V. Bodritskaya, N. A. Zhuk, V. V. Bannikov, I. R. Shein, A. L. Ivanovskii // Physics of the Solid State. - 2008. - Vol. 50, № 11. - P2121-2126 : il. - Bibliogr. : p. 2126 (15 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): ТВЕРДЫЕ РАСТВОРЫ -- ПЕРОВСКИТЫ -- ДОПИРОВАНИЕ -- НИКЕЛЬ -- ГАЛЛАТ ЛАНТАНА Аннотация: Solid solutions of the composition LaGa1 –xNixO3(0.01<=x<=0.10) are synthesized, and their magnetic and electrical properties are investigated. It is established that the ground state of the Ni(III) atoms is the low-spin state 2Eg; however, in the temperature range under investigation, there occurs the2Eg ->4T1g spin equilibrium. An increase in the nickel concentration leads to an increase in the electron conduction of the solid solutions. The band structure of the LaGa0.5Ni0.5O3 model compound is calculated using the ab initio fullpotential linearized augmented-plane-wave method within the generalized gradient approximation (FLAPWGGA).It is shown that the dominant role in the variations observed in the magnetic and electrical properties of the nonmagnetic semiconductor LaGaO3 upon doping with nickel is played by the Ni 3d(eg ) states Полный текст |