Theory and Experiments on Periodic Lattice Distortions that Explain 1D Conductivity along the CuO2 Plane Ab And A-B Diagonals in YBa2Cu3O7 (YBCO) 50 nm Film with a 24 DEG Grain Boundary (Gb)

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Self consistent field (SCF) calculations carried out at San José State University (using MOLECOLE Linux codes) for a nano-particle of 18 molecules of T’-Nd2CuO4 explain the dxy symmetry for preferred superconductivity in the ab plane. [...]

Atomistic Simulations in Nanostructures Composed of Tens of Millions of Atoms: Importance of long-range Strain Effects in Quantum Dots

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Realistic calculations of propertioes of nanostructures begin with the determination of equilibrium positions of constituent atoms. The nanoelectronic modeling tool NEMO-3D determines these positions by minimizing the total elastic energy. The displacements are further used [...]