First principles DFT calculations of structural, electronic and optical properties of MnSn2 compound

Electronic and thermal transport properties of the metallic antiferromagnet MnSn2

“…It turns out that the magnitude of ρ ( T ) increases basically with increasing temperature, indicating a typical metal-like behavior, 8 which is in agreement with the quantum-chemical band structure calculation. 16,19 The electrical resistivity decreases down to the magnetic ordering temperature showing an obvious kink around 320 K, which suggests the relatively strong magnetic scattering in AFM MnSn 2 . 25 With decreasing temperature, a sudden downturn appears below T N1 , that appears to signify a sudden evolution of the antiferromagnetic order (AFM II ), which suppresses the magnetic scatterings more than the AFM I phase.…”

“…The γ value is close to the calculated value (16.61 mJ mol −1 K 2 ), confirming the validity of our experimental observation. 19 The Debye temperature (where n is the number of atoms per formula unit, the n value of sample MnSn 2 is 3) is derived from the value of parameter β for MnSn 2 . Generally, the value of the Kadowaki–Woods ratio ( R KW ), defined as R KW = A /γ 2 (where A is the T 2 -term coefficient of resistivity and γ stands for the Sommerfeld constant of specific heat), is the well-known measure of the electron correlation strength.…”

“…Generally, the sign of the Seebeck coefficient α ( T ) could reflect the type of carriers in most metals. 19,30 Fig. 4b presents the temperature-dependent Seebeck coefficient α ( T ) between 5 to 350 K, and p-type behavior with holes as the majority carriers is observed over the whole temperature range.…”

“…18 The Mn atoms form chains parallel to the c axis, and each Mn atom is surrounded by eight Sn atoms in a square antiprism. 4,17,19,20 It has been demonstrated that MnSn 2 is antiferromagnetic with a Néel temperature around 325 K. 20 However, previous research on MnSn 2 mainly focused on magnetism or theoretical calculations, 17,20 and there is still no detailed experimental studies of other physical properties reported as far as we know.…”

MnSn2 and MnSn2–TiO2 nanostructured anode materials for lithium-ion batteries

“…Therefore, various Sn intermetallics such as CoSn, FeSn, NiSn and CuSn are studied as LIB anodes, effectively improving the electrochemical performance of Sn while cycling [12-14, 17, 19-25]. Studies also investigate manganese as the inactive element in the intermetallics for Li-ion batteries [26][27][28][29] and Na-ion batteries [30]. Despite performance improvements during cycling, Sn intermetallics must be further improved before being used as LIB anodes.…”