A new pnictidehalide with van der Waals host–guest interactions exhibiting both geometric spin frustration and resistive humidity sensitivity. (8th January 2018)

• Record Type: Journal Article
• Authors: Peng, Si-Yan; Yang, Liu-Sai; Yao, Ming-Shui; Yu, Le-Shu
• Is Part Of: New journal of chemistry. Volume 42:Number 3(2018)
• Page Start: 1787
• Page End: 1795
• Publication Date: 2018-01-08
• Subjects: Chemistry -- Periodicals; Chimie -- Périodiques; 540
• DOI: 10.1039/c7nj03351f
• Languages: English
• ISSNs: 1144-0546

Abstract

Abstract : The structure and electric and magnetic properties of a new metal pnictidehalide (Hg6 P4 )(CrCl6 )Cl are reported in detail. The weak van der Waals interactions in its structure are responsible for its geometric spin frustration and good resistive humidity sensitivity. Abstract : A new metal pnictidehalide (Hg6 P4 )(CrCl6 )Cl has been prepared by solid-state reaction. Its structure features a 3-D perovskite-like host octahedral network and discrete octahedral (CrCl6 ) 3− and Cl − guest ions assembled by weak van der Waals interactions. The nearest neighboring Cr 3+ ions are antiferromagnetically coupled with each other, and the complex can be regarded as a geometric spin frustrated system. Electronic structure, optical dielectric constants and magnetic coupling parameters were calculated using the LDA+ U method. The complex exhibits good resistive humidity sensitivity with humidity response as big as four orders of magnitude, quick resistance response, fast recovery, and good reproducibility. The complex provides a new way to realize multifunctional properties driven by weak van der Waals interactions.