87 citations · 274 across the 13 of their papers we have counts for
13 papers
Bond Disproportionation, Ligand Holes, and Persistent Spin Textures in AgBiO
Atanu Paul, Subhadeep Bandyopadhay, Anupam Mondal +1
The origin of the proposed bond disproportionated insulating state of the non-centrosymmetric () phase of AgBiO is explored using first principles electronic stru…
Stereochemically Active Lone-pair Leads to Strong Birefringence in the Vacancy Ordered Cs3Sb2Cl9 Perovskite Single Crystals
Shramana Guha, Amit Dalui, Piyush Kanti Sarkar +7
Stereochemically active lone-pair (SCALP) cations are attractive units for realizing optical anisotropy. Antimony (III) chloride perovskites with SCALP have remained largely unknow…
Unlocking the electronic, optical and transport properties of semiconductor coupled quantum dots using first principles methods
Arup Chakraborty, Bidisa Das, Indra Dasgupta
Semiconductor coupled quantum dots provide a unique opportunity of tuning bandgaps by tailoring band offsets, making them ideal for photovoltaic and other applications. Here, we ha…
Unconventional magnetism in the 4d based () honeycomb system AgLiRuO
R. Kumar, Tusharkanti Dey, P. M. Ette +13
We have investigated the thermodynamic and local magnetic properties of the Mott insulating system AgLiRuO containing Ru (4) for novel magnetism.…
Origin of magnetic moments and presence of a resonating valence bond state in BaYIrO
Abhishek Nag, Sayantika Bhowal, M. M. Sala +10
While it was speculated that 5 systems would possess non-magnetic ~=~0 ground state due to strong Spin-Orbit Coupling (SOC), all such systems have invariably shown presence…
Electronic structure and spin-orbit driven novel magnetism in d4.5 insulator Ba3YIr2O9
S. K. Panda, S. Bhowal, Ying Li +4
We have carried out a detailed first-principles study of a d quaternary iridate BaYIrO both in its 6H-perovskite-type ambient pressure (AP) phase and also for t…
Observation of S = 1/2 quasi-one-dimensional magnetic and magneto-dielectric behavior in a cubic SrCuTe2O6
B. Koteswararao, S. K. Panda, R. Kumar +6
We investigate magnetic, thermal, and dielectric properties of SrCuTe2O6, which is isostructural to PbCuTe2O6, a recently found, Cu-based 3D frustrated magnet with a corner sharing…
Exchange striction induced giant ferroelectric polarization in copper based multiferroic material -CuVO
J. Sannigrahi, S. Bhowal, S. Giri +2
We report -CuVO to be an improper multiferroic with the simultaneous development of electric polarization and magnetization below = 35 K. The observed spontane…
Magnetic properties and heat capacity of the three-dimensional frustrated S=1/2 antiferromagnet PbCuTe2O6
B. Koteswararao, R. Kumar, P. Khuntia +8
We report magnetic susceptibility (chi) and heat capacity Cp measurements along with ab-initio electronic structure calculations on PbCuTe2O6, a compound made up of a three dimensi…
First-principles study of the electronic structure of CdS/ZnSe coupled quantum dots
Nirmal Ganguli, S. Acharya, I. Dasgupta
We have studied the electronic structure of CdS/ZnSe coupled quantum dot, a novel heterostructure at the nano-scale. Our calculations reveal CdS/ZnSe coupled quantum dots to be of…
NiS - An unusual self-doped, nearly compensated antiferromagnetic metal
S. K. Panda, I. Dasgupta, E. Sasioglu +2
NiS, exhibiting a text-book example of a first-order transition with many unusual properties at low temperatures, has been variously described in terms of conflicting descriptions…
PbCu3TeO7: An S=1/2 staircase Kagome lattice with significant intra- and inter-plane couplings
B. Koteswararao, R. Kumar, Jayita Chakraborty +5
We have synthesized polycrystalline and single crystal samples of PbCu3TeO7 and studied its properties via magnetic susceptibility chi(T) and heat-capacity Cp(T) measurements and a…
Magnetic behavior of Ba_{3}Cu_{3}Sc_{4}O_{12}
B. Koteswararao, A. V. Mahajan, F. Bert +8
The chain-like system Ba_{3}Cu_{3}Sc_4O_{12} has potentially interesting magnetic properties due to the presence of Cu^{2+} and a structure-suggested low-dimensionality. We present…