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  1. First-principles study of structures, elastic and optical properties of single-layer metal iodides under strain
  2. Thermoelectric properties of Janus MXY (M = Pd, Pt; X, Y = S, Se, Te) transition-metal dichalcogenide monolayers from first principles
  3. Electronic structure, optical properties, and phonon transport in Janus monolayer PtSSe via first-principles study
  4. First-principles investigations on elastic, thermodynamic and lattice thermal conductivity of topological insulator LaAs
  5. Properties of Earth-Abundant Nitride Semiconductor CaZn2N2 under Pressure
  6. Elastic Properties and Electronic Structure of WS2 under Pressure from First-principles Calculations
  7. Structural, Electronic, Elastic and Thermal Properties of Li2AgSb: First-Principles Calculations