Ab-initio predictions of phase stability, electronic structure, and optical properties of (0001)-MAX surfaces in M2AC (M = Cr, Zr, Hf; A = Al, Ga)-Reference-Cited by-同舟云学术

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Ab-initio predictions of phase stability, electronic structure, and optical properties of (0001)-MAX surfaces in M2AC (M = Cr, Zr, Hf; A = Al, Ga)

Published:2022-01 Issue: Volume:160 Page:110338
ISSN:0022-3697
Container-title:Journal of Physics and Chemistry of Solids
language:en
Short-container-title:Journal of Physics and Chemistry of Solids

Author:

Qureshi Muhammad Waqas^ORCID,Ma Xinxin,Zhang Xinghong,Tang Guangze,Paudel Ramesh^ORCID,Paudyal Durga

Funder

National Natural Science Foundation of China

National Major Science and Technology Projects of China

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference83 articles.

1. The Mn+1 AXn phases and their properties;Barsoum;Ceram. Sci. Technol,2010

2. Prediction of the stability of the Mn+1 A Xn phases from first principles;Keast;Phys. Rev. B Condens. Matter,2009

3. Layered machinable and electrically conductive Ti2AlC and Ti3AlC2 ceramics: a review;Wang;J. Mater. Sci. Technol.,2010

4. The Mn + 1AXn phases: materials science and thin-film processing;Eklund;Thin Solid Films,2010

5. The MAX phases: unique new carbide and nitride materials;Barsoum;Am. Sci.,2001

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1. Theoretical investigation the effect of A-site elements on mechanical and thermal properties in Ti2AC (A = Al, Ga, In, Si, Ge, Sn) compounds;Materials Today Communications;2023-12

2. Recent advance in the construction of 3D porous structure Ti3C2Tx MXene and their multi-functional applications;Journal of Alloys and Compounds;2023-12

3. Pressure Dependence of Mechanical and Thermodynamic Properties of MAX‐Phase M₂GaC (M = Nb and Ta) from First‐Principles Calculations;physica status solidi (b);2023-09-27

4. An ab initio molecular dynamics study on Ti2AlN(0001) surfaces;Computational Materials Science;2023-08

5. Microstructure and tribological properties of Ti2AlC-B particle-enhanced self-lubricating coatings on Ti6Al4V by ultrasonic impact treatment and laser cladding;Materials Today Communications;2023-03

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