Here we report on the magnetic properties and electronic structures of Cr2M′C2T2 (M′ = Ti, or V; T = O, OH, or F) systems investigated by means of first-principles calculations. Results indicate that Cr2M′C2T2 can be nonmagnetic, anti-ferromagnetic, or ferromagnetic and either a semiconductor or metal depending on the choice of M′ and T and the through-bond coupling interactions that affect the arrangements of Cr2M′C2T2 systems. It was found that Cr2TiC2O2 is nonmagnetic, Cr2TiC2F2 and Cr2TiC2(OH)2 are anti-ferromagnetic. Cr2VC2(OH)2, Cr2VC2F2, and Cr2VC2O2 are ferromagnetic. The Curie temperatures of Cr2VC2(OH)2, Cr2VC2F2 are up to 618.36 and 695.65 K, respectively, calculated by the Heisenberg model with mean-field approximation. By using HSE06 methods, Cr2TiC2F2 was found to have an indirect band gap of approximately 1.35 eV while Cr2TiC(OH)2 was found to have a direct band gap of 0.84 eV. The tunable magnetic properties and electronic structures make the Cr2M′C2T2 (M′ = Ti, or V; T = O, OH, or F) double transition metal carbides promising two dimensional materials for applications in spin electronics, photocatalysis, and data storage.
Skip Nav Destination
Article navigation
14 November 2016
Research Article|
November 15 2016
Tunable electronic and magnetic properties of Cr2M′C2T2 (M′ = Ti or V; T = O, OH or F)
Jianhui Yang;
Jianhui Yang
1College of Teacher Education,
Quzhou University
, Quzhou 324000, People's Republic of China
3Ningbo Institute of Materials Technology and Engineering,
Chinese Academy of Sciences
, Ningbo, Zhejiang 315201, People's Republic of China
Search for other works by this author on:
Xumeng Zhou;
Xumeng Zhou
2College of Materials Science and Chemical Engineering,
Quzhou University
, Quzhou 324000, People's Republic of China
Search for other works by this author on:
Xuepiao Luo;
Xuepiao Luo
2College of Materials Science and Chemical Engineering,
Quzhou University
, Quzhou 324000, People's Republic of China
Search for other works by this author on:
Shaozheng Zhang;
Shaozheng Zhang
1College of Teacher Education,
Quzhou University
, Quzhou 324000, People's Republic of China
Search for other works by this author on:
Liang Chen
3Ningbo Institute of Materials Technology and Engineering,
Chinese Academy of Sciences
, Ningbo, Zhejiang 315201, People's Republic of China
Search for other works by this author on:
a)
E-mail: [email protected]
Appl. Phys. Lett. 109, 203109 (2016)
Article history
Received:
July 10 2016
Accepted:
November 05 2016
Citation
Jianhui Yang, Xumeng Zhou, Xuepiao Luo, Shaozheng Zhang, Liang Chen; Tunable electronic and magnetic properties of Cr2M′C2T2 (M′ = Ti or V; T = O, OH or F). Appl. Phys. Lett. 14 November 2016; 109 (20): 203109. https://doi.org/10.1063/1.4967983
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
Roadmap on photonic metasurfaces
Sebastian A. Schulz, Rupert. F. Oulton, et al.
Superconducting flip-chip devices using indium microspheres on Au-passivated Nb or NbN as under-bump metallization layer
Achintya Paradkar, Paul Nicaise, et al.
Special issue APL organic and hybrid photodetectors
Karl Leo, Canek Fuentes-Hernandez, et al.
Related Content
Variation of measured nitrogen sound speed with temperature and pressure
J Acoust Soc Am (July 1997)
Kondo effect and non-Fermi liquid behavior in metallic glasses containing Yb, Ce, and Sm
J. Appl. Phys. (April 2013)
Amending Maxwell’s Equations for Real and Complex Gauge Groups in Non‐Abelian Form
AIP Conference Proceedings (December 2010)
Low-temperature magnetotransport behaviors of heavily Mn-doped (Ga,Mn)As films with high ferromagnetic transition temperature
Appl. Phys. Lett. (November 2009)
The role of correlation in the ground state energy of confined helium atom
AIP Conference Proceedings (January 2014)