Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics

Bocharov D, Rafalskij Y, Krack M, Putnina M & Kuzmin A
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Bocharov, D., Rafalskij, Y., Krack, M., Putnina, M., & Kuzmin, A. (2019). Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics. IOP conference series: materials science and engineering: Vol. 503. (p. 012001). Presented at the Functional materials and nanotechnologies (FM&NT 2018). https://doi.org/10.1088/1757-899X/503/1/012001