Ground State Electronic and Magnetic Properties of LaCrO3 System


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First principle calculations are carried out to investigate the ground state electronic and magnetic properties of G-type antiferromagnetic (AFM) LaCrO3 compound in orthorhombic phase. The orthorhombic LaCrO3, a distorted GdFeO3 – type perovskite exhibits AFM transition at ~290 K. Additionally; this system shows weak ferromagnetism at room temperature, in conjugation with its semiconducting properties. In this paper, we will discuss the onset of weak ferromagnetism and electronic properties of LaCrO3, implementing generalized gradient approximation for exchange correlation potential. We present results for electronic structure and density of states, including the effect of onsite Coulomb interaction and non-collinear arrangement of Cr3+ magnetic ions in G-type AFM geometry.



Edited by:

B.S.S. Daniel and G.P. Chaudhari




B. Tiwari et al., "Ground State Electronic and Magnetic Properties of LaCrO3 System", Advanced Materials Research, Vol. 585, pp. 274-278, 2012

Online since:

November 2012




[1] Nicola A Spaldin and Manfred Fiebig, Science, 309 (2005), 391-392; Manfred Fiebig, J Phys D: Appl Phys, 38, (2005) R123-R152.


[2] G. Lawes, G. Srinivasan, J. Phys. D: Appl. Phys. 44, (2011) 243001-1 – 203001-22.

[3] S. Valencia, A. Crassous, L. Bocher, V. Garcia, X. Moya, R. O. Cherifi, C. Deranlot, K. Bouzehouane, S. Fusil, A. Zobelli, A. Gloter, N. D. Mathur, A. Gaupp, R. Abrudan, F. Radu, A. Barthelemy, M. Bibes, Nature Materials, 10, (2011) 753-758.


[4] P. Muralt, J. Micromech. Microeng. 10, (2000) 136-146.

[5] D. Munoz, N. M. Harrison, F. Illas, Phys. Rev. B, 69 (2004) 085115-1 – 085115-9.

[6] J Wang et al, Science, 299, (2003) 1719-1722.

[7] T. Kimura, T. Goto, H. Shintani, K. Ishizaka, T. Arima, Y. Tokura, Nature, 426, (2003), 55 – 58.

[8] A. Dixit, A. E. Smith, M. A. Subramanian, G. Lawes, Solid State Communication, 150, (2010) 746-750.

[9] G. A. Alvarez et al, J. Appl. Phys. 103, (2008), 07B916-1 – 07B916-3.

[10] Z. Yang, L. Ye, X. Xie, J. Phys.: Condens. Matter, 12 (200) 2737-2747.

[11] N. Ray, U. V. Waghmare, Phy. Rev. B, 77 (2008) 134112-1 – 134112-10.

[12] A. M. Glazer, Acta Cryst. B, 28, (1972), 3384-3392; T. Wolfram, F. Ellialtioglu, Electronic and optical properteis of d-band perovskites, Cambridge Univ. Press, (2006).

[13] Brajesh Tiwari, A. Dixit, R. Naik, G. Lawes, M. S. R. Rao, submitted to J. Phys.: Condens. Matter.

[14] P. Giannozzi et al, J. Phys.: Condens. Matter, 21 (2009) 395502-1 – 395502-19; http: /www. quantum-espresso. org.

[15] K. P. Ong, P. Blaha, P. Wu, Phys. Rev. B, 77 (2008), 073102-1 – 073102-4.