Electronic and crystal structures of nanolaminate yttrium aluminum carbide YAl3C3

Electronic structure and magnetic properties of monoclinicβ-Cu2V2O7: AGGAYashima1, Suzuki2 2009Phys. Rev. BSelf Cite331260View full textAdd to dashboardCite

“…[23][24][25][26][27][28][29][30][31][32] However, the crystal, magnetic, and electronic structures of Cu 2 V 2 O 7 have not been studied theoretically. The purpose of the present work is to evaluate the structural, electronic, and magnetic properties of monoclinic ␤-Cu 2 V 2 O 7 by the GGA+ U method.…”

[Zr0.72Y0.28]Al4C4: A new member of the homologous series (MC)l(T4C3)m (M=Zr, Y and Hf, T=Al, Si and Ge)

“…5). These layered carbides can be regarded as the natural superlattice quantum-well materials, thus they have prospects for application of thermoelectric power generators [7,8,14,15]. The postulated member with l ¼ 3 and m ¼ 2 (i.e., M 3 T 8 C 9 ) must be, although it is still not confirmed yet, composed of the two types of alternately stacking layers of [M 3 C 4 ] and [T 8 C 7 ].…”

“…The former carbide is isostructural with (ZrC) 2 Al 3 C 2 . The latter carbide, together with (ScC)Al 3 C 2 [13] and (YC)Al 3 C 2 [14,15], can be regarded as the intergrowth structure consisting of the [RC 2 ] slabs separated by the Al 4 C 3 -type [Al 3 C 3 ] layers, where R ¼ U, Sc and Y. Accordingly, these layered carbides are of the members with n ¼ 1 for the homologous series (RC) n Al 3 C 2 (R ¼ Zr, U, Sc and Y, n ¼ 1, 2 and 3).…”