Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4

被引：24
|
作者：
Hanner, Luke A. [1 ]
Badr, Hussein O. [1 ]
Dahlqvist, Martin [2 ]
Kota, Sankalp [1 ]
Raczkowski, David [1 ]
Rosen, Johanna [2 ]
Barsoum, Michel W. [1 ]
机构：
[1] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA
[2] Linkoping Univ, Dept Phys Chem & Biol, IFM, Linkoping, Sweden
来源：
MATERIALS RESEARCH LETTERS | 2021年 / 9卷 / 02期
关键词：
Solid solutions; transition metal borides; Mn2AlB2; Cr2AlB2; Cr3AlB4; TOTAL-ENERGY CALCULATIONS; CRYSTAL-GROWTH; CR3ALB4; CR2ALB2; CRB; CO;
D O I：
10.1080/21663831.2020.1845834
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The MAB phases are a family of layered ternary transition metal borides, with atomically laminated crystal structures comprised of transition metal boride (M-B) layers interleaved by single, or double, Al (A) layers. Herein, density functional theory is implemented to evaluate the thermodynamic stability of disordered (Mn1-xCrx)(2)AlB2, and disordered and ordered (Mn1-xCrx)(3)AlB4 quaternaries. The (Mn1-xCrx)(2)AlB2 solid solutions were synthesized over the entire range of substitution. A (Mn1-xCrx)(3)AlB4 solid solution was produced, on the base of Cr3AlB4, to form (Mn0.33Cr0.66)(3)AlB4. Powder X-ray diffraction shows lattice parameter shifts and unit cell expansions indicative of successful solid solution formations.
引用
收藏
页码：112 / 118
页数：7
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