Optical properties of the intermetallic compound Fe₂TiSn

Abstract

Full-potential linearized augmented plane wave and local orbital method calculations were performed for Fe2TiSn in order to investigate the optical properties and to show the origin of the different optical transitions. It is found that the band gap is indirect for Fe2TiSn. Then our calculated reflectivity spectra are in good agreement with the experimental results. On the other hand, the contributions of various transition peaks are analysed from the imaginary part of the dielectric function. Furthermore, the different optical properties have been investigated.

Thermoelectric performance and the role of anti-site disorder in the 24-electron Heusler TiFe2Sn

“…Yabuuchi et al [12] reports a band gap of 0.07 eV and estimates that a high Seebeck coefficient (S < −200 μV K −1 ) would manifest upon n-type doping, on the order of 10 21 cm −3 . This band structure is consistent with published band structure calculations [35][36][37] that also evaluate the density of state (DOS), indicating that the conduction band is primarily comprised of Fe states.…”

Large Seebeck Coefficients of Fe2TiSn and Fe2TiSi: First-Principles Study

“…These two alloys also show semimetallic or semiconducting properties. [4][5][6] This electron rule is similar to the 14-electron rule of chimneyladder compounds, such as MnSi 1:7 . 7,8) The 14-electron rule predicts that compounds with a VEC of 14 are semiconductors and that the valence-band occupation of those compounds is determined by just the VEC.…”

Electronic structure, optical and magnetic properties of Co2FeGe Heusler alloy films

“…7 Optical and MO properties of a number of half-metallic FHA's have been investigated theoretically and experimentally. [8][9][10][11][12][13][14][15][16][17] It has been shown that the predictions significantly depend on the calculation methods employed. 12,17 At the same time, the experimental optical and MO properties of the HA's are often quite difficult to explain without first-principle calculations.…”