Phase engineering of MoS2 through GaN/AlN substrate coupling and electron doping

Physical Chemistry Chemical Physics ◽

10.1039/c6cp05404h ◽

2016 ◽

Vol 18 (48) ◽

pp. 33351-33356 ◽

Author(s):

Bin Ouyang ◽

Pengfei Ou ◽

Yongjie Wang ◽

Zetian Mi ◽

Jun Song

Keyword(s):

Phase Stability ◽

First Principles ◽

Electron Doping ◽

First Principles Study ◽

Substrate Coupling ◽

Phase Engineering

A first principles study was performed to investigate the interface induced phase stability transition within MoS2 on top of GaN and AlN.

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Impacts of atomic and magnetic configurations on the phase stability of Fe–Pd shape memory alloys: A first-principles study

Journal of Applied Physics ◽

10.1063/5.0029951 ◽

2021 ◽

Vol 129 (3) ◽

pp. 035105

Author(s):

Chun-Mei Li ◽

Shun-Jie Yang ◽

Yang Zhang ◽

Ren-Zhong Huang

Keyword(s):

Shape Memory Alloys ◽

Shape Memory ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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Interface Effects Induced by a ZrO2 Seed Layer on the Phase Stability and Orientation of HfO2 Ferroelectric Thin Films: A First-Principles Study

Physical Review Applied ◽

10.1103/physrevapplied.16.044048 ◽

2021 ◽

Vol 16 (4) ◽

Author(s):

Can Huang ◽

Yuke Zhang ◽

Shuaizhi Zheng ◽

Qiong Yang ◽

Min Liao

Keyword(s):

Phase Stability ◽

First Principles ◽

Ferroelectric Thin Films ◽

First Principles Study ◽

Interface Effects

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Effect of Hf additions on phase stability and mechanical properties of binary W-Hf alloys: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2018.10.007 ◽

2018 ◽

Vol 137 ◽

pp. 295-302 ◽

Author(s):

Diyou Jiang ◽

Tao Wang ◽

Xiaohua Huang ◽

Xiongzhi Zou ◽

Jianfeng Hu

Keyword(s):

Mechanical Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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First-principles study of the phase stability and elastic properties of Ti-X alloys (X = Mo, Nb, Al, Sn, Zr, Fe, Co, and O)

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2017.08.128 ◽

2017 ◽

Vol 727 ◽

pp. 579-595 ◽

Author(s):

Wenchong Zhou ◽

Ryoji Sahara ◽

Koichi Tsuchiya

Keyword(s):

Elastic Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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First-principles study of phase stability and elastic properties in metastable Ti-Mo alloys with cluster structure

Molecular Simulation ◽

10.1080/08927022.2018.1526377 ◽

2018 ◽

Vol 45 (1) ◽

pp. 26-34 ◽

Author(s):

Mingjia Li ◽

Xiaohua Min ◽

Fei Ye ◽

Ping Li ◽

Congqian Cheng ◽

...

Keyword(s):

Elastic Properties ◽

Phase Stability ◽

First Principles ◽

Cluster Structure ◽

First Principles Study

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Pressure dependent phase stability transformations of GaS: A first principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2010.12.001 ◽

2010 ◽

Vol 13 (4) ◽

pp. 295-297 ◽

Author(s):

Bin Wen ◽

Roderick Melnik ◽

Shan Yao ◽

Tingju Li

Keyword(s):

Phase Stability ◽

First Principles ◽

First Principles Study

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A first-principles study of phase stability in Ni–Al and Ni–Ti alloys

High Temperature Aluminides and Intermetallics ◽

10.1016/b978-1-85166-822-9.50005-4 ◽

1992 ◽

pp. 1-8 ◽

Author(s):

M. Sluiter ◽

P.E.A. Turchi ◽

F.J. Pinski ◽

G.M. Stocks

Keyword(s):

Phase Stability ◽

First Principles ◽

First Principles Study ◽

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First-principles study of phase stability, electronic and mechanical properties of plutonium sub-oxides

Physical Chemistry Chemical Physics ◽

10.1039/c9cp01858a ◽

2019 ◽

Vol 21 (30) ◽

pp. 16818-16829 ◽

Author(s):

P. S. Ghosh ◽

A. Arya

Keyword(s):

Mechanical Properties ◽

Density Functional Theory ◽

Phase Stability ◽

First Principles ◽

Density Functional ◽

Functional Theory ◽

First Principles Study ◽

Hubbard Parameter ◽

Formation Energies

Formation energies of PuO2, α-Pu2O3 and sub-oxides PuO2−x (0.0 < x < 0.5) are determined using density functional theory employing generalised gradient approximation corrected with an effective Hubbard parameter.

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First-Principles Study of Phase Stability and Solubility in Fe-RE (Y, La, Ce) Alloys

Rare Metal Materials and Engineering ◽

10.1016/s1875-5372(18)30026-2 ◽

2017 ◽

Vol 46 (11) ◽

pp. 3188-3192 ◽

Author(s):

Gao Xueyun ◽

Ren Huiping ◽

Li Yiming ◽

Wang Haiyan

Keyword(s):

Phase Stability ◽

First Principles ◽

First Principles Study

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First-principles study on elastic properties and phase stability of III–V compounds

physica status solidi (b) ◽

10.1002/pssb.200301861 ◽

2003 ◽

Vol 240 (1) ◽

pp. 45-54 ◽

Author(s):

S. Q. Wang ◽

H. Q. Ye

Keyword(s):

Elastic Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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