Article citationsMore>>

E. Francisco, J. M. Recio, M. A. Blanco and A. M. Pendás, “Quantum-Mechanical Study of Thermodynamic and Bonding Properties of MgF2,” The Journal of Physical Chemistry, Vol. 102, No. 9, 1998, pp. 1595-1601. doi:10.1021/jp972516j

has been cited by the following article:

• TITLE: Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO3 Rhombohedral Perovskite

  AUTHORS: Abdelkader Boudali, Fatiha Saadaoui, Mostefa Zemouli, Mohamed Driss Khodja, Kadda Amara

  KEYWORDS: Ab-Initio Calculations; Elastic Properties; Electronic Structure; Thermodynamic

  JOURNAL NAME: Advances in Materials Physics and Chemistry, Vol.3 No.2, June 5, 2013

  ABSTRACT: We study the structural, elastic and electronic properties of perovskite insulator LaAlO3 using two different methods: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave scheme in the frame of generalized gradient approximation and local density approximation GGA + mBJ. We have evaluated the ground state quantities. Also, we have presented the results of the band structure and densities of states. These results are in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound, we have analyzed the thermodynamic properties.