First principles study on the elastic properties and electronic structures of (Fe, Cr)3C

Computational Materials Science ◽

10.1016/j.commatsci.2009.01.002 ◽

2009 ◽

Vol 45 (4) ◽

pp. 986-992 ◽

Author(s):

C.T. Zhou ◽

B. Xiao ◽

J. Feng ◽

J.D. Xing ◽

X.J. Xie ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First-Principles Study on Elastic Properties and Electronic Structures of Ti-Based Binary and Ternary Shape Memory Alloys

Chinese Physics Letters ◽

10.1088/0256-307x/23/10/065 ◽

2006 ◽

Vol 23 (10) ◽

pp. 2863-2866 ◽

Author(s):

Tan Chang-Long ◽

Cai Wei ◽

Zhu Jing-Chuan

Keyword(s):

Shape Memory Alloys ◽

Shape Memory ◽

Elastic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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Atomic and electronic structures, elastic properties, and optical conductivity of bulk Te and Te nanowires: A first-principles study

Physical Review B ◽

10.1103/physrevb.75.245437 ◽

2007 ◽

Vol 75 (24) ◽

Author(s):

Prasenjit Ghosh ◽

Mousumi Upadhyay Kahaly ◽

Umesh V. Waghmare

Keyword(s):

Elastic Properties ◽

Optical Conductivity ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First-principles Study of Electronic Structures, Elastic Properties and Thermodynamics of the Binary Intermetallics in Mg–Zn–Re–Zr Alloy

Defence Technology ◽

10.1016/j.dt.2013.09.011 ◽

2013 ◽

Vol 9 (3) ◽

pp. 131-139 ◽

Author(s):

Gang Chen ◽

Peng Zhang

Keyword(s):

Elastic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

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First Principles Study of Structural Stability, Elastic Properties, and Electronic Structures of Y-Doped Mg2Si

Journal of Electronic Materials ◽

10.1007/s11664-018-06864-2 ◽

2018 ◽

Vol 48 (3) ◽

pp. 1582-1589 ◽

Author(s):

Wenxin Wang ◽

Yuyan Ren ◽

Yingmin Li

Keyword(s):

Elastic Properties ◽

Structural Stability ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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Electronic structures and elastic properties of monolayer and bilayer transition metal dichalcogenides MX 2 ( M = Mo, W; X = O, S, Se, Te): A comparative first-principles study

Chinese Physics B ◽

10.1088/1674-1056/24/9/097103 ◽

2015 ◽

Vol 24 (9) ◽

pp. 097103 ◽

Author(s):

Fan Zeng ◽

Wei-Bing Zhang ◽

Bi-Yu Tang

Keyword(s):

Transition Metal ◽

Elastic Properties ◽

First Principles ◽

Electronic Structures ◽

Transition Metal Dichalcogenides ◽

First Principles Study ◽

Metal Dichalcogenides

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A first-principles study on electronic structures and elastic properties of metal doped α-Fe(N) high nitrogen steel

Journal of Iron and Steel Research International ◽

10.1016/s1006-706x(17)30015-8 ◽

2017 ◽

Vol 24 (1) ◽

pp. 103-110 ◽

Author(s):

Ji-chun Yang ◽

Xiang-jun Liu ◽

Gui-xiao Jia ◽

Xiao-yang Fu

Keyword(s):

Elastic Properties ◽

First Principles ◽

Electronic Structures ◽

High Nitrogen Steel ◽

High Nitrogen ◽

First Principles Study ◽

Nitrogen Steel ◽

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

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The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

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First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

Computational Materials Science ◽

10.1016/j.commatsci.2011.10.042 ◽

2012 ◽

Vol 54 ◽

pp. 287-292 ◽

Author(s):

Xiao-Jun Chen ◽

Meng-Xue Zeng ◽

Ren-Nian Wang ◽

Zhou-Sheng Mo ◽

Bi-Yu Tang ◽

...

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽

10.1039/d0ra09238j ◽

2021 ◽

Vol 11 (5) ◽

pp. 3058-3070

Author(s):

Yu Zhou ◽

Lan-Ting Shi ◽

A-Kun Liang ◽

Zhao-Yi Zeng ◽

Xiang-Rong Chen ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Electronic Structures ◽

Pressure Range ◽

Mechanical Stability ◽

First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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