55 citations · 181 across the 7 of their papers we have counts for
7 papers
Why is it so difficult to realize Dy in as-synthesized BaZrO?
Khang Hoang, Camille Latouche, Stéphane Jobic
Rare-earth doped barium zirconate (BaZrO) ceramics are of interest as proton-conducting and luminescent materials. Here, we report a study of dysprosium (Dy) and other relevant…
Unexplored reactivity of (Sn)2- Oligomers with transition metals in low-temperature solid-state reactions
Shunsuke Sasaki, Melanie Lesault, Elodie Grange +7
Chalcogenides (Q = S, Se, Te), one of the most important family of materials in solid-state chemistry, differ from oxides by their ability to form covalently-bonded (Qn)2- oligomer…
Absolute Reference Energy to Realign the Band-edges of Inorganic Semiconductors Using First-principles Calculations
Tilak Das, Xavier Rocquefelte, Stèphane Jobic
The challenge of finding an absolute reference energy from first-principles simulations to realigning semiconductor's valence band-top and conduction band-bottom, a theoretical met…
Defect energy levels and persistent luminescence in Cu-doped ZnS
Khang Hoang, Camille Latouche, Stéphane Jobic
Zinc sulfide (ZnS) based materials are widely used in many applications. Yet, due to a lack of detailed knowledge of defect energy levels, the electrical properties and luminescenc…
Effect of nonmagnetic substituents Mg and Zn on the phase competition in the multiferroic antiferromagnet MnWO4
Lynda Meddar, Michael Josse, Philippe Deniard +8
The effects of substituting nonmagnetic Mg2+ and Zn2+ ions for the Mn2+ (S = 5/2) ions on the structural, magnetic and dielectric properties of the multiferroic frustrated antiferr…
Short-range magnetic order and temperature-dependent properties of cupric oxide
X. Rocquefelte, M. -H. Whangbo, A. Villesuzanne +4
The temperature dependence of the optical and magnetic properties of CuO were examined by means of hybrid density functional theory calculations. Our work shows that the spin excha…
Magnetic structure and ferroelectric polarization of MnWO4 investigated by density functional calculations and classical spin analysis
Chuan Tian, Changhoon Lee, Hongjun Xiang +4
The ordered magnetic states of MnWO4 at low temperatures were examined by evaluating the spin exchange interactions between the Mn2+ ions of MnWO4 on the basis of first principles…