Sohan Lal

Electronic structure study of vanadium spinels by using density functional theory and dynamical-mean-field theory

Theoretically, various physical properties of AV

Density matrix approach to the orbital ordering in the spinel vanadates: a case study

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Self-consistent evaluation of effective Coulomb interaction U and its utilization to understand the degree of localization of electrons in vanadium spinels

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Limitations of unconstrained LSDA+U calculations in predicting the electronic and magnetic ground state of a geometrically frustrated ZnV2O4 compound

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Studying the occupied and unoccupied electronic structure of LaCoO3 by using DFT+embedded DMFT method with the calculated value of U

(A=Zn, Cd and Mg) spinels have been extensively studied for last 15 years. Besides of this, no systematic comparative study has been done for these compounds, where the material specific parameters are used. Here, we report the comparative electronic behaviour of these spinels by using a combination of density functional theory and dynamical mean-field theory, where the self-consistent calculated Coulomb interaction

Studying the hopping parameters of half-Heusler NaAuS using maximally localized Wannier function

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The role of ionic sizes in inducing the cubic to tetragonal distortion in AV2O4 and ACr2O4 (A = Zn, Mg and Cd) compounds

and Hunds coupling

Role of orbital degrees of freedom in investigating the magnetic properties of geometrically frustrated vanadium spinels

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Calculation of effective Coulomb interaction in PrCoO3

(determined by Yukawa screening

Constrained DFT+U approach for understanding the magnetic behaviour of ACr2O4 (A = Zn, Mg, Cd and Hg) compounds

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