Pressure effect on electronic structure and magnetic properties of MB₆ and MB₁₂ borides

• Published in: Физика и техника высоких давлений
• Date: 2006
• Main Authors: Grechnev, G.E., Baranovskiy, A.E., Logosha, A.V., Panfilov, A.S., Fil, V.D., Ignatova, T.V., Shitsevalova, N.Yu., Eriksson, O.
• Format: Article
• Language: English
• Published: Донецький фізико-технічний інститут ім. О.О. Галкіна НАН України 2006
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/70265
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Pressure effect on electronic structure and magnetic properties of MB₆ and MB₁₂ borides / G.E. Grechnev, A.E. Baranovskiy, A.V. Logosha, A.S. Panfilov, V.D. Fil, T.V. Ignatova, N.Yu. Shitsevalova, O. Eriksson // Физика и техника высоких давлений. — 2006. — Т. 16, № 4. — С. 110-114. — Бібліогр.: 13 назв. — англ.

Theoretical and experimental studies of the pressure effect on electronic structure and magnetic properties of MB₆ and MB₁₂ borides are carried out to determine the electronic ground states and interactions responsible for the bulk and magnetic properties of these compounds. The band structure and total energy E were calculated ab initio for a number of atomic volumes, providing the equation of states, E(V), bulk moduli B, magnetic moments and susceptibilities. The temperature and pressure dependencies of magnetic susceptibility were also experimentally studied for a number of borides using a pendulum-type magnetometer. In semimetallic EuB₆ the paramagnetic Curie temperature is found to be increasing with pressure, dθ/dP = 0.44 ± 0.03 K/kbar, whereas in closely related GdB₆ compound the pressure effect is lower in magnitude but opposite in sign: dθ/dP = –0.17 ± 0.03 K/kbar. The peculiar details in electronic structures are found to be responsible for distinctions in magnetic ordering and the pressure effects on indirect f−f interactions.