Multifunctional Pb-Free Double Perovskites M2MoRuO6 (M = Ba, Sr) with Narrow Band Gaps for Advanced Electronic and Optoelectronic Applications: Insights from First-Principles Calculations
Materials Chemistry and Physics, vol. 358, Elsevier, pp. 132408
An exact spacetime polymer gas for finite-temperature Z_N homological quantum code
Role of A-Site Cations in Tuning the Properties of A₂InBiO₆ (A = Mg, Ca, Sr) Double Perovskites for Solar Energy Applications: Insights from Density Functional Theory
Materials Today Communications, vol. 50, Elsevier, pp. 114321
A Comprehensive DFT Study of the Structural, Mechanical, and Optoelectronic Properties of Novel Hydrogen-Based A2MgZnH6 (A = Na, K) Double Perovskites for Hydrogen Storage Applications
Next Materials, vol. Accepted, Elsevier
Unravelling the threshold displacement energy of TaC using Ab initio molecular dynamics simulation
Nuclear Engineering and Technology, vol. 57, pp. 103613
A First-Principles Investigation of Lead-Free Novel Direct Band Gap Double Perovskite Oxides X2AlBiO6 (X = Mg, Ca, Ba) for Implementation in Optoelectronic and Thermoelectric Technologies
Materials Chemistry and Physics, vol. 342, pp. 130911
Highly Condensed Eu2+-Doped Nitrodoberyllosilicates, MBeSi2N4:Eu2+ (M = Ca, Sr): Electronic Structure and Band Gap Studies
Canadian Journal of Chemistry, Canadian Journal of Chemistry
Prediction of threshold displacement energies in TiC by ab initio molecular dynamics simulation method
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A Comparative Study of the LWCA and VMHNC Liquid State Theories on the Surface Properties of Liquids Zn, Sn, and Pb
Indian Journal of Physics
A Comprehensive DFT Study of the Optoelectronic, Mechanical, and Thermoelectric Properties of Rb2NaScCl6 Double Perovskite Implying Different Pressures
Materials Today Communications, vol. 38, Elsevier, pp. 108093
Investigation of lead-free direct bandgap Ca2MAsO6 (M=Ga, In) double perovskites for optoelectronic and thermoelectric applications: A first principles study
Materials Science in Semiconductor Processing, vol. 177, Elsevier Ltd., pp. 108356
SELF-DIFFUSION OF INDIUM AND BISMUTH IN MOLTEN In0.5Bi0.5 ALLOY AT DIFFERENT THERMODYNAMIC STATE
Bangladesh Journal of Physics, vol. 29, no. 2, pp. 51 – 58
Structure and bandgap determination of InN grown by RP-MOCVD
Journal of Materials Science: Materials in Electronics, vol. 33, no. 22, Springer, pp. 17668--17677
Energy Levels of the Eu2+ 5d state relative to conduction band and valence band in SrLi2Al2O2:Eu2+ Phosphor,
Journal of Material Chemistry C, vol. 10, no. Journal of Material Chemistry C, pp. 9740-9747
Band Gap and Electronic Structure of Defects in the Ternary Nitride BP3N6: Experiment and Theory
Journal Of Chemical Physics C, vol. 10, Journal of Material Chemistry C, pp. 6429-6434
Inverse-tunable Red Luminescence and Electronic Properties of Nitridoberylloaluminates Sr2−xBax[BeAl3N5]:Eu2+ (x = 0−2)
Chemistry - a European Journal, vol. 28, pp. 1-8
Unravelling the Energy Levels of Eu2+ -ions in MBe20N14:Eu2+ (M = Sr, Ba) Phosphors
Journal of Chemical Physics C, vol. 125, pp. 11828–11837
Electronic structure investigation of wide band gap semiconductors-Mg2PN3 and Zn2PN3: Experiment and theory
Journal of Physics: Condensed Matter, vol. 32, pp. 405504
Understanding of luminescence properties using direct measurements on Eu2+ -doped wide bandgap phosphors
Advanced Optical Materials, vol. 8, pp. 2000504-20005010
A Probe of Valence and Conduction Band Electronic Structure of Lead Oxide Films for Photodetectors
ChemPhysChem, vol. 20, pp. 3328-3335
Bandgap and Electronic Structure Determination of Oxygen - Containing Ammonothermal InN: Experiment and Theory
Journal of Physical Chemistry C, vol. 123, pp. 8943-8950
Local Minimum in pairpotential of polyvalent metals: a limitation of the pseudopotential theory
Int. J. Mod. Phys. B 33 1950049 (13 pages). (World Scientific Publisher)
Static and dynamic properties of liquid Fe: An OF-AIMD simulation study
Physica B: Condensed Matter (published online).(Elsevier)
Investigation of surface tension, viscosity and diffusion coefficients of liquid simple metals
Journal of Non-Crystalline Solids 499, 426-433.
A study of thermodynamics of mixing for Al 1− x Sn x liquid binary alloy
Journal of Non-Crystalline Solids 481, 391-396. (Elsevier)
Novel Edge States in Self-Dual Gravity
JHEP, pp. 083
Orbital free ab initio study of static and dynamic properties of some liquid transition metals
EPJ Web of Conferences 151, 03001. (IOP)
Local minimum in effective pair potentials: Pseudopotential theory revisited
arXiv preprint arXiv:1710.07931. (arXive.org)
Structure and Dynamics of liquids
EPJ Web of Conferences 151. (IOP)
Ab-initio study of several static and dynamic properties of liquid palladium and platinum
EPJ Web of Conferences 151, 03002. (Springer)