A first-principles study of O2 incorporation and its diffusion in compressively strained high-density silicon oxides

2006 ◽  
Vol 508 (1-2) ◽  
pp. 311-314 ◽  
Author(s):  
Toru Akiyama ◽  
Keiichi Kawamoto ◽  
Hiroyuki Kageshima ◽  
Masashi Uematsu ◽  
Kohji Nakamura ◽  
...  
Keyword(s):  
First Principles ◽  
High Density ◽  
Silicon Oxides ◽  
First Principles Study

First-Principles Study of the As-Mediated Growths of Si and Ge on Si(100)

1998 ◽  
Vol 05 (01) ◽  
pp. 77-80 ◽  
Author(s):  
Young-Jo Ko ◽  
K. J. Chang ◽  
Jae-Yel Yi ◽  
Seong-Ju Park ◽  
El-Hang Lee
Keyword(s):  
Surface Diffusion ◽  
First Principles ◽  
High Density ◽  
Two Dimensional ◽  
Minimum Surface ◽  
First Principles Study ◽  
Pseudopotential Calculations ◽  
Gradient Corrections

We study the mechanism of the As-mediated epitaxial growths of Ge and Si on Si(100) surfaces through first-principles pseudopotential calculations. On an As-monolayer-covered Si(100) surface, individual Ge or Si adatoms are found to incorporate rapidly into subsurface As sites with minimum surface diffusion. The segregation of As is initiated by the substitutional adsorptions of individual Ge or Si adatoms. Because of the rapid adatom incorporation, adatom mobility is drastically reduced, compared with the growth without surfactants, resulting in a high density of two-dimensional islands. The inclusion of gradient corrections to the LDA energies does not change our results.

scholarly journals First-Principles Study on Crystal Structure and Piezoelectricity of Perovskite-Type Silicon Oxides

2008 ◽  
Vol 2 (11) ◽  
pp. 1427-1435 ◽  
Author(s):  
Yasutomo UETSUJI ◽  
Hwishim HWANG ◽  
Kazuyoshi TSUCHIYA ◽  
Eiji NAKAMACHI
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Silicon Oxides ◽  
First Principles Study ◽  
Type Silicon ◽  
Perovskite Type

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.

Sign in / Sign up

Export Citation Format

Share Document