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- W2019989473 abstract "We demonstrate the importance of thermal effects such as temperature-induced electronic, magnetic and vibrational excitations, as well as structural defects in the first-principles calculations of the magnetic critical temperature of complex alloys using half-Heusler ${text{Ni}}_{1ensuremath{-}x}{text{Cu}}_{x}text{MnSb}$ alloys as a case study. The thermal lattice expansion and one-electron excitations have been accounted for self-consistently in the Curie temperature calculations. In the Ni-rich region, electronic excitations, thermal expansion, and structural defects substantially decrease the calculated Curie temperature. At the same time, some defects are shown to increase ${T}_{C}$ in Cu-rich samples." @default.
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- W2019989473 date "2009-04-13" @default.
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- W2019989473 title "Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ni</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mi>x</mml:mi></mml:msub><mml:mtext>MnSb</mml:mtext></mml:mrow></mml:math>alloys" @default.
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- W2019989473 doi "https://doi.org/10.1103/physrevb.79.134417" @default.
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