16 citations · 62 across the 12 of their papers we have counts for
9 papers · 1 filter
Studying the occupied and unoccupied electronic structure of LaCoO by using DFT+embedded DMFT method with the calculated value of
Paromita Dutta, Sohan Lal, Sudhir K. Pandey
In this work, we present a systematic study of the occupied and unoccupied electronic states of LaCoO compound using DFT, DFT+ and DFT+embedded DMFT methods. The…
Studying the effect of different exchange correlation functionals on the structural and electronic properties of a half-Heusler NaAuS compound
Antik Sihi, Sohan Lal, Sudhir K. Pandey
Theoretically, NaAuS is predicted as topological insulator, while no detail electronic structure study has been done for this compound. Here, we report the structural and electroni…
Electronic structure study of vanadium spinels by using density functional theory and dynamical mean field theory
Sohan Lal, Sudhir K. Pandey
Theoretically, various physical properties of AVO (A=Zn, Cd and Mg) spinels have been extensively studied for last 15 years. Besides of this, no systematic comparative…
Self-consistent evaluation of effective Coulomb interaction of V atom and its importance to understand the comparative electronic behaviour of vanadium spinels
Sohan Lal, Sudhir K. Pandey
In present work, we try to understand the importance of effective Coulomb interaction () between localized electrons of V atom to understand the comparative electronic beha…
Constrained DFT+ approach for understanding the magnetic behaviour of ACrO (A=Zn, Mg, Cd and Hg) compounds
Sohan Lal, Sudhir K. Pandey
In this work, we try to understand the inconsistency reported by [Yaresko, Phys. Rev. B. {\bf 77}, 115106 (2008)] in the theoretically estimated nature and the variation of magnitu…
The role of ionic sizes in inducing the cubic to tetragonal distortion in AVO and ACrO (A=Zn, Mg and Cd) compounds
Sohan Lal, Sudhir K. Pandey
Cubic to tetragonal distortion in spinel compounds have been a contentious issue for last two decades. Different groups have proposed different mechanisms to understand such a dist…
Role of orbital degrees of freedom in investigating the magnetic properties of geometrically frustrated vanadium spinels
Sohan Lal, Sudhir K. Pandey
The inconsistency about the degree of geometrical frustration has been a long issue in AVO (A Zn, Cd and Mg) compounds, which arises from the two experimental…
Limitations of unconstrained LSDA+ calculations in predicting the electronic and magnetic ground state of a geometrically frustrated ZnVO compound
Sohan Lal, Sudhir K. Pandey
In the present work, we investigate the applicability of the LSDA+ method in understanding the electronic and magnetic properties of a geometrically frustrated ZnVO comp…
Density matrix approach to the orbital ordering in the spinel vanadates: A case study
Sohan Lal, Sudhir K. Pandey
In this work we apply the density matrices approach to orbital ordering (OO) in order to study the OO of the spinel vanadates AVO (A Zn, Cd and Mg), which is n…