Material | C11 | C12 | C44 | G | E | ν | A |
---|---|---|---|---|---|---|---|
CoNiMnSi | 425.75 | 68.52 | 172.49 | 174.94 | 400.37 | 0.144 | 0.966 |
Co2MnSi | 311.16 [ | 164.75 [ | 153.26 [ | – | – | – | – |
316 [ [ | 174 [ [ | 143 [ [ |
Material | Structure | a0(Å) | B0 (GPa) | B′ | E0 (Ryd) |
---|---|---|---|---|---|
CoNiMnSi | Hg2CuTi-type | 5.6256 | 179.51 | 3.50 | −8726.0826 |
Cu2MnAl-type | 5.6810 | 187.89 | 5.06 | −8726.1164 | |
LiMgPbSb-type | 5.6787 | 187.6 | 4.81 | −8726.1177 | |
Co2MnSi | Cu2MnAl-type | 5.633 [ | 212.8 [ | 4.68 [ | – |
5.634 [ | 226 [ | – | – | ||
5.639 [ | 214 [ | 4.674 [ | – |
Compounds | ∆E(FM–AFM) (mRy/Atom) | TC (K) | Spin polarization ratio (%) |
---|---|---|---|
CoNiMnSi | −0.011 | 871.89 GGA | 56 % GGA |
1107.19 GGA + U | 100 % GGA+U | ||
Co2MnSi | 928 [ | 100 % | |
985 [ [ |
(T = 0) Material | VS | V1 | Vm | θD |
---|---|---|---|---|
(P = 0) | [m/s] | [m/s] | [m/s] | [K] |
CoNiMnSi | 4902.70 | 7604.25 | 5381.81 | 445.20 |
Compounds | μTotal (μB/Cell) | μinterstitial (μB/Cell) | μatomic (μB/Cell) | ||||
---|---|---|---|---|---|---|---|
Co1 | Ni/Co2 | Mn | Si | ||||
CoNiMnSi | GGA | 4.69 | 0.038 | 1.036 | 0.458 | 3.18 | 0.022 0.038 |
GGA+U | 5.99 | −0.03377 | 1.613 | 0.567 | 3.89 | ||
Co2MnSi | 5.00 [ [ [ [ | – | – | – | – | – |