Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide
Keyword(s):
We show that a non-collinear spin density GGA+U functional calculation can describe the enthalpy difference (latent heat) of ΔE0 = −44.2 meV per formula unit, similar to the experimental value, between the paramagnetic rutile and the M1 phases of VO2.
2020 ◽
Vol 44
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pp. 96-101
2014 ◽
Vol 16
(19)
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pp. 8783-8786
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Keyword(s):
2015 ◽
Vol 17
(17)
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pp. 11638-11646
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