Characteristic Features of the Physicochemical Structure of Chromium Disilicide

Anharmonicity and Effect of the Nanostructuring on the Lattice Dynamics of CrSi2

“…The temperature dependence of the total thermal conductivity of the single crystal measured perpendicular to the c axis (along b *) below 300 K is shown in Figure . The values near 300 K are in good agreement with those reported in ref . The phonon contribution to the total thermal conductivity has been obtained by subtracting the electronic contribution calculated using the Wiedemann–Franz law: where L is the Lorenz number and ρ is the electrical resistivity.…”

“…5 The lattice thermal conductivity λ l has been computed using DFT calculations (see Figure 11). The lattice thermal conductivity in the plane perpendicular to c (λ l ⊥c ) is slightly larger than our experimental values by about 20−30% in the 100−300 K range but is similar to the experimental results of Voronov et al 37 at 300 K. We note that recent DFT calculations 13 could not reproduce the experimental values. The difference between our experimental and theoretical results with the literature data 37 can be explained by the significant contribution of the defects to the phonon scattering in CrSi 2 , which can strongly vary from one sample to another.…”

“…Indeed, it is well known that CrSi 2 can naturally contain high point defect concentration due to its homogeneity range extending between CrSi 1.96 and CrSi 2.03 . 37,39 This inherent defect chemistry explains the high charge carrier concentrations (0.5−1 × 10 21 cm 3 ) 37,39,40 reported in prior studies. Such large amounts of defects should contribute to increase both point-defect and electron−phonon scattering.…”

Centimetric CrSi2 crystal grown by the vertical gradient Freeze method

“…Among them, chromium disilicide (CrSi2) has been largely studied as it possesses a high thermal stability up to 1000 K under air [3][4][5][6][7] and a small and indirect electronic bandgap (0.3 -0.4 eV) [8][9][10][11][12][13]. This alloy can be considered for opto-electronic devices such as IR detectors [8,14,15], as thin film resistor [16,17] and is particularly promising for thermoelectric applications [4,13,[18][19][20][21].…”

Crystal Structure of the Compound Mn4Si7

“…Thus, there are regions in the structure, perpendicular to the c axis, which differ in the nature of the interatomic interaction .. This may explain the observed anisotropy of the physical properties of single crystals: the maximum electrical and thermal conductivity are observed in directions perpendicular to the fourfold axis [8].…”