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cond-mat.mtrl-sci2008★ 206 cited
Engineering multiferroism in CaMnO
Satadeep Bhattacharjee, Eric Bousquet, Philippe Ghosez
From first-principles calculations, we investigate the structural instabilities of CaMnO. We point out that, on top of a strong antiferrodistortive instability responsible for…
cond-mat.mtrl-sci2008★ 23 cited
First-principle calculation of the dielectric and dynamical properties of orthorhombic CaMnO
Satadeep Bhattacharjee, Eric Bousquet, Philippe Ghosez
The structural, dielectric and dynamical properties of the low temperature antiferromagnetic orthorhombic phase of CaMnO have been computed from first principles using a densit…