167 citations · 352 across the 20 of their papers we have counts for
14 papers · 1 filter
Geometrical indications of adsorbed hydrogen atoms on graphite producing starlike and ellipsoidal features in scanning tunneling microscopy images
Mohammad Khazaei, Ahmad Ranjbar, Mohammad Saeed Bahramy +2
Recent scanning tunneling spectroscopy (STM) experiments display images with star and ellipsoidal like features resulting from unique geometrical arrangements of a few adsorbed hyd…
Polarization Rotation, Switching and E-T phase diagrams of BaTiO: A Molecular Dynamics Study
Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe +1
We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO achieved with external electric field. For tetragonal and or…
Ferroelectric Phase Transitions in Ultra-thin Films of BaTiO3
Jaita Paul, Takeshi Nishimatsu, Y. Kawazoe +1
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO sandwiched between short-circuited electrodes to determine and understand effects o…
Calculations of spin induced transport in ferromagnets
M. S. Bahramy, P. Murugan, G. P. Das +1
Based on first-principles density functional calculations, a general approach for determining and analyzing the degree of spin polarization (P) in ferromagnets is presented. The ap…
Ab initio study of single molecular transistor modulated by gate-bias
F. Jiang, Y. X. Zhou, H. Chen +3
We use a self-consistent method to study the current of the single molecular transistor modulated by the transverse gate-bias in the level of the first-principles calculations. The…
Electronic Structure and Optical Properties of the Co-doped Anatase TiO Studied from First Principles
Hongming Weng, Xiaoping Yang, Jinming Dong +3
The Co-doped anatase TiO, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-…