Comment on ‘‘Density-functional description of the electronic structure of LaMO3 (M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni)’’

W. E. Pickett and D. J. Singh
Phys. Rev. B 53, 7550 – Published 15 March 1996
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Abstract

Pari et al. reported that local spin density approximation (LSDA) calculations failed to predict the insulating ground state for (cubic) LaMnO3. We point out that the observed antiferromagnetic state is insulating and is lower in energy than obvious competing phases when the distorted orthorhombic structure is taken into account. Thus there is no evident problem with the predictions of LSDA for this compound. © 1996 The American Physical Society.

  • Received 13 July 1995

DOI:https://doi.org/10.1103/PhysRevB.53.7550

©1996 American Physical Society

Authors & Affiliations

W. E. Pickett and D. J. Singh

  • Naval Research Laboratory, Washington, D.C. 20375-5000

Original Article

Density-functional description of the electronic structure of LaMO3 (M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni)

G. Pari, S. Mathi Jaya, G. Subramoniam, and R. Asokamani
Phys. Rev. B 51, 16575 (1995)

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Vol. 53, Iss. 11 — 15 March 1996

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