activity
20092024
most citedFlexibility of the quasi-non-uniform exchange-correlation approximation

26 citations · 75 across the 7 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci2024★ 5 cited

A detailed examination of polysilicon resistivity incorporating the grain size distribution

Mikael Santonen, Antti Lahti, Zahra Jahanshah Rad +9

Current transport in polysilicon is a complicated process with many factors to consider. The inhomogeneous nature of polysilicon with its differently shaped and sized grains is one…

cond-mat.mtrl-sci2016★ 4 cited

Quantitative description of short-range order and its influence on the electronic structure in Ag-Pd alloys

Martin Hoffmann, Alberto Marmodoro, Arthur Ernst +6

We investigate the effect of short-range order (SRO) on the electronic structure in alloys from the theoretical point of view using density of states (DOS) data. In particular, the…

cond-mat.mtrl-sci2014★ 26 cited

Flexibility of the quasi-non-uniform exchange-correlation approximation

H. Levämäki, L. Vitos, M. P. J. Punkkinen +1

In our previous study [Phys. Rev. B 86, 201104 (2012)] we introduced the so called quasi-non-uniform gradient-level exchange-correlation approximation (QNA) and demonstrated it's s…

cond-mat.mtrl-sci2012★ 20 cited

Quasi-non-local gradient-level exchange-correlation approximation for metals and alloys

H. Levämäki, L. Vitos, M. P. J. Punkkinen +1

The flexibility of common generalized gradient approximation for the exchange-correlation energy is investigated by monitoring the equilibrium volume of transition metals. It is sh…

cond-mat.mtrl-sci2012

Magnetic origin of chemical balance in alloyed Fe-Cr stainless steels: first-principles and Ising model study

E. Airiskallio, E. Nurmi, I. J. Väyrynen +5

Iron-chromium forms the basis of most of the stainless steel grades in the markets. Recently new insights into the physical and chemical properties of Fe-Cr based alloys have been…

cond-mat.mtrl-sci2011

Initial oxidation of Fe-Al and Fe-Cr-Al alloys: Cr as an alumina booster

Markku Heinonen, Kalevi Kokko, Marko Punkkinen +3

The boosting effect of Cr on the growth of the protective alumina scale on Fe-Al alloys is investigated by x-ray photoelectron spectroscopy. Using low oxygen pressure the surface c…