First-Principles Study on Electronic, Magnetic and Elastic Properties of CeN and PmN

Effect of metal ad-atoms on the structural, electrical, and optical properties of boron-nitride nanostructures towards optoelectronics: a DFT based study

Modeling of Ferroelectric, Semiconducting and Superconducting Perovskite Oxides Using Crystalline Accommodation Law

Study of Structural, Electrical, and Dielectric Properties of Sm-doped SrMnO3

ICMMS-2: First principles investigation of electronic properties of graphene doped with Al and N atoms

DFT for SnO2 Doped nanomaterial for Solar Fuel Application

Magnetic properties and magnetocaloric effect of Gd element under first order phase transition

Magnetic and Half-Metallic Properties of Full-Heusler Alloys Co2TiZ (Z= Ga, Si, Sn) and Co2MnZ (Z= Ga, Si)

Precise Determination of Energy Levels, Work Function and Explanation of Near-Ambient Superconductivity of Solids By Quantum Quantitative Model

The Quantum-Chemistry Calculations of Electronic Structure of Boron Nitride Nanocrystals with Density Functional Theory Realization