Layered Compounds BaFMgPn (Pn = P, As, Sb, and Bi), Transition-Metal-Free Representatives of the 1111 Structure Type

Inorganic Chemistry
Igor V PlokhikhArno Pfitzner

Abstract

Four new transition metal-free pnictide representatives of the LaOAgS structure type were predicted by DFT calculations and found in the BaFMgPn (Pn = P, As, Sb and Bi) family. The compounds adopt the tetragonal space group P4 /nmm with the unit cell parameters a/ c 4.3097(1) Å/9.5032(1) Å, 4.3855(1) Å/9.5918(1) Å, 4.5733(1) Å/9.8184(1) Å, and 4.6359(1) Å/9.8599(1) Å, respectively. According to the DFT calculations, these new compounds are semiconductors with band gaps steadily decreasing from Pn = P ( ca. 2 eV) to Pn = Bi ( ca. 1 eV). The corresponding strontium fluoride and rare-earth oxide analogs are unlikely to exist and have not been observed yet. The trends of the stability within 1111 and structurally and/or chemically related compounds based on a combined consideration of geometry and DFT calculations are discussed.

References

Aug 3, 2006·Journal of the American Chemical Society·Yoichi KamiharaHideo Hosono
Jan 24, 2007·Journal of Computational Chemistry·Edward SanvilleGraeme Henkelman
Feb 26, 2008·Journal of the American Chemical Society·Yoichi KamiharaHideo Hosono
May 21, 2008·Angewandte Chemie·Dirk Johrendt, Rainer Pöttgen
Jun 4, 2008·Physical Review Letters·John P PerdewKieron Burke
Sep 30, 2008·Inorganic Chemistry·Simon J ClarkeCatherine F Smura
May 1, 2010·Inorganic Chemistry·Sophie TencéBernard Chevalier
Oct 15, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Bayrammurad Saparov, Svilen Bobev
Feb 17, 2011·The Journal of Chemical Physics·Min Yu, Dallas R Trinkle
Jul 9, 2013·Scientific Reports·Bayrammurad SaparovAthena S Sefat
Feb 9, 2016·Journal of the American Chemical Society·Cao WangGuang-Han Cao

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Citations

May 21, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Igor V PlokhikhArno Pfitzner

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