167 citations · 1.3k across the 34 of their papers we have counts for
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The electronic structures and magnetic properties of perovskite ruthenates from constrained orbital hybridization calculations
Xiangang Wan, Jian Zhou, Jinming Dong
We introduce a method to analyze the effect of hybridization by shifting corresponding atomic levels using external potentials. Based on this approach, we study perovskite ruthenat…
Calculated Magnetic and Electronic Properties of Pyrochlore Iridates
Xiangang Wan, Jinming Dong, Sergey Y. Savrasov
Using density functional theory and LDA+U method, we investigate magnetic and electronic structure of YIrO and rare-earth based pyrochlore iridates. Our study rev…
Electronic Structure Calculations of Magnetic Exchange Interactions in Europium Monochalcogenides
Xiangang Wan, Jinming Dong, Sergej Y. Savrasov
Using a combination of local spin density and Hubbard 1 approximations we study the mechansim of exchange interacion in EuX (X=O, S, Se and Te). We reproduce known experimental res…
Spin-orbit interaction in Au structures of various dimensionalities
Xiaoping Yang, Jian Zhou, Hongming Weng +1
Variation of the geometrical and electronic properties of the gold materials in different dimensions has been investigated by method, taking into account the spin-orb…
Single-walled carbon nanotube bundle under hydrostatic pressure studied by the first-principles calculations
Xiaoping Yang, Gang Wu, Jinming Dong
The structural, electronic, optical and vibrational properties of the collapsed (10,10) single-walled carbon nanotube bundle under hydrostatic pressure have been studied by the fir…
Ferromagnetism of an all-carbon composite composed of a carbon nanowire nside a single-walled carbon nanotube
Xiaoping Yang, Jinming Dong
Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the singl…