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CrSb spin-2 charge density 1 · Files on Ouro

Sep 22

CrSb spin-2 charge density 1

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Ground-state SCF

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CrSb NiAs-type benchmark
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Experimental CrSb, NiAs type (P6_3/mmc), a = 4.122 Å, c = 5.464 Å. Order: interlayer antiferromagnetic, TN 705 K.

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