Phase Stability and Physical Properties of Manganese Borides: A First-Principles Study

Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_2$CrFeO$_6$ have been reported. Initially, the ground state of the parent single...

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Phase stability and physical properties of technetium borides: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2013.09.016 ◽

2014 ◽

Vol 82 ◽

pp. 86-91 ◽

Cited By ~ 8

Author(s):

Jing He Wu ◽

Gui Yang

Keyword(s):

Physical Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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Phase Stability and Thermo-Physical Properties of Nickel-Aluminum Binary Chemically Disordered Systems via First-Principles Study

Metals and Materials International ◽

10.1007/s12540-019-00568-w ◽

2019 ◽

Author(s):

Zhiqin Wen ◽

Yuhong Zhao ◽

Jianhua Li ◽

Hua Hou

Keyword(s):

Physical Properties ◽

Phase Stability ◽

First Principles ◽

Disordered Systems ◽

Nickel Aluminum ◽

First Principles Study ◽

Thermo Physical Properties

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The first-principles study on physical properties and phase stability of Boron-V (BN, BP, BAs, BSb and BBi) compounds

Computational Materials Science ◽

10.1016/j.commatsci.2013.08.056 ◽

2014 ◽

Vol 81 ◽

pp. 471-477 ◽

Cited By ~ 45

Author(s):

M. Ustundag ◽

M. Aslan ◽

Battal G. Yalcin

Keyword(s):

Physical Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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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):

Thin Films ◽

Phase Stability ◽

First Principles ◽

Seed Layer ◽

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 ◽

Cited By ~ 4

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 ◽

Cited By ~ 21

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 ◽

Cited By ~ 4

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 ◽

Cited By ~ 7

Author(s):

Bin Wen ◽

Roderick Melnik ◽

Shan Yao ◽

Tingju Li

Keyword(s):

Phase Stability ◽

First Principles ◽

First Principles Study

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