The Effect in the Production and Luminescence Property of Zn3V2O8 with Eu-doping and the First Principle Calculation of α- Zn3V2O8

Luo, Jiaolian; Chen, Ruxue; Zhang, Xiaoming

doi:10.1088/1757-899x/274/1/012087

Cited by 1 publication

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“…Orthovanadates, with formula M 3 V 2 O 8 , being M a divalent atom, are also interesting because of their optical, dielectric, and magnetic properties [7][8][9][10]. On top of that, these materials have received a great deal of attention owing to their luminescence properties [11], which make them promising materials as laser-host matrices and for developing light-emitting diodes [12]. In addition, M 3 V 2 O 8 vanadates have attracted attention because of their self-activated photoluminescence [13].…”

Section: Introductionmentioning

confidence: 99%

Comparative Study of the Compressibility of M3V2O8 (M = Cd, Zn, Mg, Ni) Orthovanadates

Díaz-Anichtchenko

Errandonea

2022

Crystals

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We report herein a theoretical study of the high-pressure compressibility of Cd3V2O8, Zn3V2O8, Mg3V2O8, and Ni3V2O8. For Cd3V2O8, we also present a study of its structural stability. Computer simulations were performed by means of first-principles methods using the CRYSTAL program. In Cd3V2O8, we found a previously unreported polymorph which is thermodynamically more stable than the already known polymorph. We also determined the compressibility of all compounds and evaluated the different contributions of polyhedral units to compressibility. We found that the studied vanadates have an anisotropic response to compression and that the change in volume is basically determined by the compressibility of the divalent-cation coordination polyhedra. A systematic discussion of the bulk modulus of M3V2O8 orthovanadates will also be included.

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