Relationship Between Phonons and Large Negative Thermal Expansion in ScF3
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https://b2find.eudat.eu/dataset/eb635ee2-9546-5f57-8770-663293b9b94e
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ScF3 shows negative thermal expansion (NTE) up to 1100 K. Our ab-initio calculation shows that NTE in ScF3 mainly arise mainly from the softening of zone boundary phonon modes...
