First-principles study of dielectric properties of cerium oxide

Microwave assisted heterogeneous catalysis: effects of varying oxygen concentrations on the oxidative coupling of methane

“…When Ce 2 O 3 has a slightly lower dielectric loss factor but a higher temperature coefficient than CeO 2 [27,28], the analysis is then in line with the experimental findings which also explains why large differences in the temperature gradients are established within the catalyst when oxygen was absent.…”

Elastic and electronic properties of Ce2O3 from first principles

“…Because of the ability to store, release and transport oxygen ions, ceria is not only the support but also one of the active participants in some reactions, such as low-temperature CO and volatile organic compounds (VOC) oxidation catalysts [8]. Moreover, ceria is also an available material in microelectronics applications [9]. Thus, it is necessary to obtain an accurate description of ceria materials in theory for understanding the nature and the effective practical application in future [10].…”

“…To date, as a study of the special f electrons, cerium oxides have been widely investigated by a series of experiments and theories [6][7][8][9][10][11][12][13][14][15][16][17]. Especially, due to high sensitivity to the change of the on-site Coulomb repulsion, the balance choice of U for Ce 2 O 3 still remains a matter of debate.…”

First-principle calculations of the electronic, optical and elastic properties of ZnSiP2 semiconductor

“…The calculated value of e 1 (0) is slightly higher than the reported value. It is well known that the dielectric constant of any semiconductor is the absolute sum of electronic and lattice dielectric constants [39,40]. The lattice term cannot be neglected due to the ionic character present in ZnSiP 2 , which makes calculated value of dielectric constant slightly higher than reported values by Chiker et al [7].…”