Subject Areas : Research On Surface Engineering and Nanomaterials Science

آزاده اعظمی ¹ (گروه فیزیک، واحد اهواز، دانشگاه آزاد اسلامی، اهواز، ایران)

Received: 2022-10-12 Accepted : 2022-12-11 Published : 2022-11-22

Keywords:

References:

1. G. Smith, W. Gläser. "Phonon spectra in TaC and HfC." Physical Review Letters , 23 (1970) 1611.


2. Lv, H .Hu, C. Wu, S. Cui, G. Zhang, W. Feng, "First-principles study of structural stability, electronic and elastic properties of ZrC compounds." Physica B: Condensed Matter, 14 (2011) 2750-2754.


3. Li, L. Zhang, Q. Zeng, H. Ren, K. Guan, Q Liu, L. Cheng. "First-principles study of the structural, vibrational, phonon and thermodynamic properties of transition metal carbides TMC (TM= Ti, Zr and Hf)." Solid State Communications, 1 (2011) 61-66.


4. Sun, F. Chen, W. Qiu, L. Ye, W. Han, W. Zhao, H. Zhou and T. Zhao. "Synthesis of rare earth containing single‐phase multicomponent metal carbides via liquid polymer precursor route." Journal of the American Ceramic Society, 11 (2020) 6081-6087.


5. Krajewski, L. D'alessio, and G. D. Maria. "Physiso‐Chemical and Thermophysical Properties of Cubic Binary Carbides." Crystal Research and Technology: Journal of Experimental and Industrial Crystallography, 3 (1998) 341-374.


6. Aliakbari, P. Amiri, H. Salehi. "First-principles investigation of the structural and dynamical stability, electronic and thermal properties of two-dimensional Yn+ 1Cn (n= 1, 2, and 3) MXenes." FlatChem 31 (2022) 100328.


7. Zhang, Q .Wu, Z. Hu, H. Li, H. Xiong, A .Xu. "First-principles study on stability, electronic, and mechanical properties of La–C and Ce–C binary compounds." Journal of Iron and Steel Research International 26 (2019) 771-778.


8. Touam, R .Belghit,  R .Mahdjoubi,  Y. Megdoud, H. Meradji,  M. Sh. Khanand, and et.al ."First-principles computations of Y_x Ga  _1-x Y _x Ga _1-x As-ternary alloys: a study on structural, electronic, optical and elastic properties." Bulletin of Materials Science 43 (2020) 1-11.


9. Giannozzi, S. Baroni, N. Bonini, M. Calandra and et al. "Quantum Espresso: a modular and open-source software project for quantum simulations of materials." Journal of physics: Condensed matter, 39 (2009): 395502.


10. E. Hu, Z.Y. Zeng, L. Zhang, X.R. Chen, L. C. Cai, and D. Alfè. "Theoretical investigation of the high pressure structure, lattice dynamics, phase transition, and thermal equation of state of titanium metal." Journal of Applied Physics, 9 (2010) 093509.