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We have studied the influence of magnetic order on the optical phonons of thegeometrically frustrated spinel ZnCr$_2$O$_4$ from first-principles. By mappingthe first-principles phonon calculations onto a Heisenberg-like model, wedeveloped a method to calculate exchange derivatives and subsequently thespin-phonon couping parameter from first-principles. All calculations wereperformed within LSDA+U

physical review letters

Magnetically Induced Phonon Anisotropy in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>ZnCr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>from First Principles

Magnetically Induced Phonon Anisotropy inZnCr2O4from First Principles