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We note that there is a large discrepancy between experiment and theory for the magnetic state and c/a value of VTe. Interestingly, the theoretical c/a value is very close to that of experiment when the magnetic state is fixed at FM. The discrepancy will not affect our conclusion on the stability of its epitaxial ZB HMF as it favors FM in the studied substrate range.
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We note that there is a large discrepancy between experiment and theory for the magnetic state and c/a value of VTe. Interestingly, the theoretical c/a value is very close to that of experiment when the magnetic state is fixed at FM. The discrepancy will not affect our conclusion on the stability of its epitaxial ZB HMF as it favors FM in the studied substrate range.
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51849097889
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The optimized NiAs-type structure is used in our calculation although a MnP-type structure is observed experimentally for VAs. The conclusion is not affected since the energy of the epitaxial NiAs-type structure is already lower than that of the ZB structure.
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The optimized NiAs-type structure is used in our calculation although a MnP-type structure is observed experimentally for VAs. The conclusion is not affected since the energy of the epitaxial NiAs-type structure is already lower than that of the ZB structure.
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