First-principles theory of dilute magnetic semiconductors

K Sato, L Bergqvist, J Kudrnovský, PH Dederichs… - Reviews of modern …, 2010 - APS
This review summarizes recent first-principles investigations of the electronic structure and
magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications …

Ab Initio Simulations and Materials Chemistry in the Age of Big Data

GR Schleder, ACM Padilha… - Journal of chemical …, 2019 - ACS Publications
In this perspective, we discuss computational advances in the last decades, both in
algorithms as well as in technologies, that enabled the development, widespread use, and …

[图书][B] Handbook of nitride semiconductors and devices, Materials Properties, Physics and Growth

H Morkoį - 2009 - books.google.com
The three volumes of this handbook treat the fundamentals, technology and nanotechnology
of nitride semiconductors with an extraordinary clarity and depth. They present all the …

Machine learning study of the magnetic ordering in 2D materials

CM Acosta, E Ogoshi, JA Souza… - ACS Applied Materials & …, 2022 - ACS Publications
Magnetic materials have been applied in a large variety of technologies, from data storage
to quantum devices. The development of two-dimensional (2D) materials has opened new …

Self-purification in semiconductor nanocrystals

GM Dalpian, JR Chelikowsky - Physical review letters, 2006 - APS
Doping of nanocrystals is an important and very difficult task.“Self-purification” mechanisms
are often claimed to make this task even more difficult, as the distance a defect or impurity …

Origin and Enhancement of Hole-Induced Ferromagnetism in First-Row Semiconductors

H Peng, HJ Xiang, SH Wei, SS Li, JB Xia, J Li - Physical review letters, 2009 - APS
The origin of ferromagnetism in d 0 semiconductors is studied using first-principles methods
with ZnO as a prototype material. We show that the presence of spontaneous magnetization …

Two-dimensional tetragonal TiC monolayer sheet and nanoribbons

Z Zhang, X Liu, BI Yakobson, W Guo - Journal of the American …, 2012 - ACS Publications
We report a two-dimensional tetragonal Titanium Carbide (TiC) monolayer sheet with
distinguished structure and properties based on comprehensive first-principles calculations …

A family of high-temperature ferromagnetic monolayers with locked spin-dichroism-mobility anisotropy: MnNX and CrCX (X= Cl, Br, I; C= S, Se, Te)

C Wang, X Zhou, L Zhou, NH Tong, ZY Lu, W Ji - Science Bulletin, 2019 - Elsevier
Two-dimensional magnets have received increasing attention since Cr 2 Ge 2 Te 6 and CrI
3 were experimentally exfoliated and measured in 2017. Although layered ferromagnetic …

Theoretical description of carrier mediated magnetism in cobalt doped ZnO

A Walsh, JLF Da Silva, SH Wei - Physical review letters, 2008 - APS
Substitutional cobalt in ZnO has a weak preference for antiferromagnetic ordering.
Stabilization of ferromagnetism is achieved through n-type doping, which can be understood …

[PDF][PDF] Effect of Mn doping concentration on structural, morphological and optical studies of ZnO nano-particles

VD Mote, JS Dargad, BN Dole - Nanoscience and …, 2013 - researchgate.net
We report the crystal structure, morphology and optical properties of the Zn1-xMnxO
nanoparticles with nominal composition (x= 0.00, 0.05, 0.10, 0.15 & 0.20) were synthesized …