This paper describes the synthesis, formation mechanism, and mechanical property of
multilayered ultrathin Pd nanosheets. An anisotropic, Hanoi Tower-like assembly of Pd …

We determine the elastic properties of the layered thermoelectrics BiOCuSe and LaOCuSe
using first-principles density functional theory calculations. To predict their stability, we …

Using first-principles density functional theory calculations, a systematic study of the lattice
dynamics and related (eg, dielectric and anharmonic) properties of BiOCuSe (bismuth …

Our first-principles study has revealed unexpected spin polarization of the Pd (001)
substrate in contact with antiferromagnetic CoO overlayers. We give an evidence that the …

We report measurements to investigate the effects of mechanical strain on the binding
energy of carbon monoxide (CO) on the (111) surface of a 16 nm thin film of palladium (Pd) …

Two variants of the introduction of transition metals (TMs) Me= Ni, Mn, Co into the Pd
(100)/(100) γ-Al2O3 catalytic system are presented to reveal a possible influence of TM on …

Traditional density functional theory (DFT) miserably fails to reproduce the experimental
volume and magnetic anisotropy of D022 Mn3Ga, which has recently become one of the …

The face-centered cubic palladium (Pd) is paramagnetic but exhibits ferromagnetism in
special environments, such as nanostructures and thin films. In this study, first-principles …

A significant distortion of crystal structure was observed in Pd (100) ultrathin film deposited
on a SrTiO3 substrate that shows ferromagnetism induced by quantum-well states. An in-situ …

We demonstrate control of the magnetism of Pd (100) ultrathin films, which show d-electron
quantum-well-induced ferromagnetism, via modulation of the interface electronic state using …