Magnetic state, magnetovolume effects, and atomic order inFe65Ni35Invar alloy: A first principles study

2007 ◽  
Vol 76 (1) ◽  
Author(s):  
Andrei V. Ruban ◽  
Sergii Khmelevskyi ◽  
Peter Mohn ◽  
Börje Johansson
Keyword(s):  
First Principles ◽  
Magnetic State ◽  
Atomic Order ◽  
First Principles Study

scholarly journals First-principles study of Mn3 adsorbed on Au(111) and Cu(111) surfaces

RSC Advances ◽  
2021 ◽  
Vol 11 (49) ◽  
pp. 31073-31083
Author(s):  
E. E. Hernández-Vázquez ◽  
S. López-Moreno ◽  
F. Munoz ◽  
J. L. Ricardo-Chavez ◽  
J. L. Morán-López
Keyword(s):  
Adsorption Energy ◽  
First Principles ◽  
Magnetic State ◽  
Energy State ◽  
Energy Difference ◽  
First Principles Study ◽  
State Configuration

Adsorption energy difference of Mn trimer on Au(111) and Cu(111) surfaces as a function of the magnetic state configuration. Where, the lowest energy state is the AFΔ one.

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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