Abstract
Guided by predictive theory, a new compound with chemical composition (Cr2/3Zr1/3)2AlC was synthesized by hot pressing of Cr, ZrH2, Al, and C mixtures at 1300 °C. The crystal structure is monoclinic of space group C2/c and displays in-plane chemical order in the metal layers, a so-called i-MAX phase. Quantitative chemical composition analyses confirmed that the primary phase had a (Cr2/3Zr1/3)2AlC stoichiometry, with secondary Cr2AlC, AlZrC2, and ZrC phases and a small amount of Al-Cr intermetallics. A theoretical evaluation of the (Cr2/3Zr1/3)2AlC magnetic structure was performed, indicating an antiferromagnetic ground state. Also (Cr2/3Hf1/3)2AlC, of the same structure, was predicted to be stable.
| Original language | English |
|---|---|
| Pages (from-to) | 6237-6244 |
| Number of pages | 8 |
| Journal | Inorganic Chemistry |
| Volume | 57 |
| Issue number | 11 |
| Early online date | 11 May 2018 |
| DOIs | |
| Publication status | Published - 4 Jun 2018 |
| Externally published | Yes |
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Theoretical Prediction and Synthesis of (Cr2/3Zr1/3)2AlC i-MAX Phase. / Chen, Liugang; Dahlqvist, Martin; Lapauw, Thomas; Tunca, Bensu; Wang, Fei; Lu, Jun; Meshkian, Rahele; Lambrinou, Konstantina; Blanpain, Bart; Vleugels, Jozef; Rosen, Johanna.
In: Inorganic Chemistry, Vol. 57, No. 11, 04.06.2018, p. 6237-6244.Research output: Contribution to journal › Article
TY - JOUR
T1 - Theoretical Prediction and Synthesis of (Cr2/3Zr1/3)2AlC i-MAX Phase
AU - Chen, Liugang
AU - Dahlqvist, Martin
AU - Lapauw, Thomas
AU - Tunca, Bensu
AU - Wang, Fei
AU - Lu, Jun
AU - Meshkian, Rahele
AU - Lambrinou, Konstantina
AU - Blanpain, Bart
AU - Vleugels, Jozef
AU - Rosen, Johanna
PY - 2018/6/4
Y1 - 2018/6/4
N2 - Guided by predictive theory, a new compound with chemical composition (Cr2/3Zr1/3)2AlC was synthesized by hot pressing of Cr, ZrH2, Al, and C mixtures at 1300 °C. The crystal structure is monoclinic of space group C2/c and displays in-plane chemical order in the metal layers, a so-called i-MAX phase. Quantitative chemical composition analyses confirmed that the primary phase had a (Cr2/3Zr1/3)2AlC stoichiometry, with secondary Cr2AlC, AlZrC2, and ZrC phases and a small amount of Al-Cr intermetallics. A theoretical evaluation of the (Cr2/3Zr1/3)2AlC magnetic structure was performed, indicating an antiferromagnetic ground state. Also (Cr2/3Hf1/3)2AlC, of the same structure, was predicted to be stable.
AB - Guided by predictive theory, a new compound with chemical composition (Cr2/3Zr1/3)2AlC was synthesized by hot pressing of Cr, ZrH2, Al, and C mixtures at 1300 °C. The crystal structure is monoclinic of space group C2/c and displays in-plane chemical order in the metal layers, a so-called i-MAX phase. Quantitative chemical composition analyses confirmed that the primary phase had a (Cr2/3Zr1/3)2AlC stoichiometry, with secondary Cr2AlC, AlZrC2, and ZrC phases and a small amount of Al-Cr intermetallics. A theoretical evaluation of the (Cr2/3Zr1/3)2AlC magnetic structure was performed, indicating an antiferromagnetic ground state. Also (Cr2/3Hf1/3)2AlC, of the same structure, was predicted to be stable.
UR - http://www.scopus.com/inward/record.url?scp=85048249814&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.8b00021
DO - 10.1021/acs.inorgchem.8b00021
M3 - Article
VL - 57
SP - 6237
EP - 6244
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 11
ER -