First principles study of the binding energies of pure metals using FP-LAPW method

2013 ◽  
Vol 189 ◽  
pp. 45-50 ◽  
Author(s):  
Gabriela B. Grad ◽  
Edgardo V. Bonzi
Keyword(s):  
First Principles ◽  
Binding Energies ◽  
First Principles Study ◽  
Pure Metals

First principles study on the structural evolution and properties of (MCl)n (n = 1–12, M = Cu, Ag) clusters

RSC Advances ◽  
2016 ◽  
Vol 6 (36) ◽  
pp. 30311-30319 ◽  
Author(s):  
Zhimei Tian ◽  
Longjiu Cheng
Keyword(s):  
First Principles ◽  
Cluster Size ◽  
Structural Evolution ◽  
Binding Energies ◽  
First Principles Study ◽  
Ag Clusters

Energetic gaps (E − Efit) and second differences of binding energies (Δ2E) for (CuCl)n and (AgCl)n clusters as a function of cluster size, n.

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
Sign in / Sign up

Export Citation Format

Share Document