Pt-induced nanowires on Ge (001): A density functional theory study

DEP Vanpoucke, G Brocks - Physical Review B—Condensed Matter and …, 2010 - APS
We study formation of the nanowires formed after deposition of Pt on a Ge (001) surface. The
nanowires form spontaneously after high-temperature annealing. They are …

Density functional study of structural, mechanic, thermodynamic and dynamic properties of SiGe alloys

H Langueur, K Kassali, N Lebgaa - Journal of Computational …, 2013 - ingentaconnect.com
The first-principles calculations based on the density-functional perturbation theory have
been performed using the local-density approximation to investigate many physical …

Electronic, optical, and surface properties of PtSi thin films

H Bentmann, AA Demkov, R Gregory, S Zollner - Physical Review B …, 2008 - APS
We report a theoretical and experimental study of thin Pt silicide films. Employing density-
functional theory, we investigate the electronic structure, bonding, and optical properties of …

Epitaxial formation and electrical properties of Ni germanide/Ge (110) contacts

Y Deng, O Nakatsuka, J Yokoi, N Taoka, S Zaima - Thin Solid Films, 2014 - Elsevier
We have investigated the epitaxial formation and electrical properties of Ni germanide/Ge
(110) contacts. X-ray diffraction and transmission electron microscopy measurements have …

First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi

MK Niranjan - Intermetallics, 2012 - Elsevier
Metal silicides are of great interest due to their numerous applications and interesting
properties. Here we present a comprehensive theoretical study of structural, electronic and …

Growth and evolution of nickel germanide nanostructures on Ge (001)

T Grzela, G Capellini, W Koczorowski… - …, 2015 - iopscience.iop.org
Nickel germanide is deemed an excellent material system for low resistance contact
formation for future Ge device modules integrated into mainstream, Si-based integrated …

The elastic, electronic, and optical properties of PtSi and PtGe compounds

H Koc, E Deligöz, AM Mamedov - Philosophical Magazine, 2011 - Taylor & Francis
The structural, mechanical, electronic and optical properties of orthorhombic PtSi and PtGe
were investigated using norm-conserving pseudopotentials within the local density …

Composition and crystallography dependence of the work function: experiment and calculations of Pt-Al alloys

L Kornblum, P Shekhter, Y Slovatizky, Y Amouyal… - Physical Review B …, 2012 - APS
The work function (WF) of several phases of Pt-Al alloys is investigated. A first-principles
study is performed to determine the dependence of the vacuum WF (VWF) on the phase …

Surface electronic structure, relaxations and thermodynamic energies of (100),(110) and (111) surfaces of Mg2Si: A first-principles theoretical study

R Mamindla, MK Niranjan - Surface Science, 2020 - Elsevier
Mg 2 Si is an important semiconducting silicide with several promising applications in
photovoltaics, thermoelectrics, and optoelectronics. In this article, we perform a …

Density functional theory study of Pt-induced Ge (001) reconstructions

DEP Vanpoucke, G Brocks - Physical Review B—Condensed Matter and …, 2010 - APS
Pt deposited on a Ge (001) surface spontaneously forms nanowire arrays. These nanowires
are thermodynamically stable and can be hundreds of atoms long. The nanowires only …