Uppsala University

most citedObservation of a new particle in the search for the Standard Model Higgs boson with the ATLAS detector at the LHC

10.9k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions

Showing 2014 · cond-mat.mtrl-sciShow all

31 papers · 2 filters

cond-mat.mtrl-sci2014★ 17 cited

Magnetism and electronic structure calculation of SmN

C. Morari, F. Beiuşeanu, I. Di Marco +4

The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U a…

cond-mat.mtrl-sci2014★ 17 cited

Resistance noise at the metal-insulator transition in thermochromic VO2 films

Zareh Topalian, Shu-Yi Li, Gunnar Niklasson +2

Thermochromic VO2 films were prepared by reactive DC magnetron sputtering onto heated sapphire substrates and were used to make 100-nm-thick samples that were 10 μm wide and 100 mi…

cond-mat.mtrl-sci2014★ 422 cited

Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst

Baisheng Sa, Yan-Ling Li, Jingshan Qi +2

Phosphorene has been attracted intense interest due to its unexpected high carrier mobility and distinguished anisotropic optoelectronic and electronic properties. In this work, we…

cond-mat.mtrl-sci2014★ 17 cited

Anti-site disorder and improved functionality of Mn $_{2}$ Ni{\it X} ({\it X}= Al, Ga, In, Sn) inverse Heusler alloys

Souvik Paul, Ashis Kundu, Biplab Sanyal +1

Recent first-principles calculations have predicted Mn $_{2}$ Ni{\it X} ({\it X}=Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn $_{2}$ NiGa and…

cond-mat.mtrl-sci2014★ 16 cited

First-principles study of the lattice instabilities in Mn $_{2}$ Ni{\it X} ({\it X}= Al, Ga, In, Sn) magnetic shape memory alloys

Souvik Paul, Biplab Sanyal, Subhradip Ghosh

Using first-principles based Density Functional Theory (DFT), we have investigated the structural instabilities in the austenite phases of Mn $_{2}$ Ni{\it X} ({\it X}= Al, Ga, In, S…

cond-mat.mtrl-sci2014★ 71 cited

Surface aligned magnetic moments and hysteresis of an endohedral single-molecule magnet on a metal

Rasmus Westerström, Anne-Christine Uldry, Roland Stania +10

The interaction between the endohedral unit in the single-molecule magnet Dy $_{2}$ ScN@C $_{80}$ and a rhodium (111) substrate leads to alignment of the Dy 4 $f$ orbitals. The resulting…

cond-mat.mtrl-sci2014★ 139 cited

Crystallization characteristics and chemical bonding properties of nickel carbide thin film nanocomposites

Andrej Furlan, Jun Lu, Lars Hultman +2

The crystal structure and chemical bonding of magnetron-sputtering deposited nickel carbide Ni $_{1 - x}$ C $_{x}$ (0.05 $\leq$ x $\leq$ 0.62) thin films have been investigated by high-reso…

cond-mat.mtrl-sci2014★ 48 cited

Increased magnetocrystalline anisotropy in epitaxial Fe-Co-C thin films with spontaneous strain

Ludwig Reichel, George Giannopoulos, Sandra Kauffmann-Weiss +8

Rare earth free alloys are in focus of permanent magnet research since the accessibility of the elements needed for nowadays conventional magnets is limited. Tetragonally strained…

cond-mat.mtrl-sci2014★ 10 cited

Magnetism in stoichiometric and off-stoichiometric MnO clusters: Insights from {\it ab initio} theory

Shreemoyee Ganguly, Mukul Kabir, Carmine Autieri +1

We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the po…

cond-mat.mtrl-sci2014★ 47 cited

Thickness dependence of dynamic and static magnetic properties of pulsed laser deposited La $_{0.7}$ Sr $_{0.3}$ MnO $_{3}$ films on SrTiO $_{3}$ (001)

Åsmund Monsen, Jos E. Boschker, Ferran Macià +6

We present a comprehensive study of the thickness dependence of static and magneto-dynamic magnetic properties of La $_{0.7}$ Sr $_{0.3}$ MnO $_{3}$ . Epitaxial pulsed laser deposited La$_…

cond-mat.mtrl-sci2014★ 63 cited

Achieving atomic resolution magnetic dichroism by controlling the phase symmetry of an electron probe

Jan Rusz, Juan-Carlos Idrobo, Somnath Bhowmick

The calculations presented here reveal that an electron probe carrying orbital angular momentum is just a particular case of a wider class of electron beams that can be used to mea…

cond-mat.mtrl-sci2014★ 16 cited

Thermodynamics around the First-Order Ferromagnetic Phase Transition of $Fe_{2} P$ Single Crystals

M. Hudl, D. Campanini, L. Caron +4

The specific heat and thermodynamics of $Fe_{2} P$ single-crystals around the first order paramagnetic (PM) to ferromagnetic (FM) phase transition at $T_{\rm C} = 217 \,{\…

cond-mat.mtrl-sci2014★ 25 cited

Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations

Robert Johansson, Rajeev Ahuja, Olle Eriksson +2

We investigate the influence of uniaxial strain on site occupancy of hydrogen vanadium, using density functional theory. The site occupancy is found to be strongly influenced by th…

cond-mat.mtrl-sci2014★ 10 cited

Microscopic electronic configurations after ultrafast magnetization dynamics

I. L. M. Locht, I. Di Marco, S. Garnerone +2

We provide a model for the prediction of the electronic and magnetic configurations of ferromagnetic Fe after an ultrafast decrease or increase of magnetization. The model is based…

cond-mat.mtrl-sci2014★ 12 cited

Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys

Xiaoqing Li, Stephan Schönecker, Jijun Zhao +2

Within the same failure mode, iron has the lowest ideal tensile strength among the transition metals crystallizing in the body-centered cubic structure. Here, we demonstrate that t…

cond-mat.mtrl-sci2014★ 15 cited

First-principles study of point defects at semicoherent interface

Erki Metsanurk, Alfredo Caro, Artur Tamm +2

Modeling semicoherent metal-metal interfaces has so far been performed using atomistic simulations based on semiempirical interatomic potentials. We demonstrate through more precis…

cond-mat.mtrl-sci2014★ 14 cited

Lithium Diffusion & Magnetism in Battery Cathode Material LixNi1/3Co1/3Mn1/3O2

M. Mansson, H. Nozaki, J. M. Wikberg +7

We have studied low-temperature magnetic properties as well as high-temperature lithium ion diffusion in the battery cathode materials LixNi1/3Co1/3Mn1/3O2 by the use of muon spin…

cond-mat.mtrl-sci2014★ 5 cited

Temperature evolution of structural and magnetic properties of stoichiometric LiCu2O2: correlation of thermal expansion coefficient and magnetic order

S. A. Ivanov, P. Anil Kumar, R. Mathieu +3

Temperature-dependent crystallographic and magnetic studies on stoichiometric single crystals of LiCu2O2 are reported. The magnetic properties are similar to earlier findings demon…

cond-mat.mtrl-sci2014★ 984 cited

Dirac materials

T. O. Wehling, A. M. Black-Schaffer, A. V. Balatsky

A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity: their low-energy fermionic excitations behave as massl…

cond-mat.mtrl-sci2014★ 17 cited

Fe clusters (Fe $_{n}$ , n=1-6) chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment and magnetic anisotropy

Soumyajyoti Haldar, Bhalchandra S. Pujari, Sumanta Bhandary +4

In this work, we have studied the chemical and magnetic interactions of Fe $_{n}$ ; n=1-6 clusters with vacancy defects (monovacancy to correlated vacancies with six missing C atoms)…

cond-mat.mtrl-sci2014★ 16 cited

Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

S. Ahmadi, B. Agnarsson, I. Bidermane +4

The electronic structure of ZnPc, from sub-monolayers to thick films, on bare and iodated Pt(111) is studied by means of X-ray photoelectron spectroscopy (XPS), X-ray absorption sp…

cond-mat.mtrl-sci2014★ 16 cited

Electronic Structure and Lattice Dynamics in the FeSb $_{3}$ Skutterudite from Density Functional Theory

Mikael Råsander, Lars Bergqvist, Anna Delin

We have performed density functional calculations of the electronic structure and lattice dynamics of the binary skutterudite FeSb $_{3}$ . We find that the ground state of FeSb$_{3}…

cond-mat.mtrl-sci2014★ 127 cited

Electronic structure and magnetic properties of L1_0 binary alloys

Alexander Edström, Jonathan Chico, Adam Jakobsson +2

We present a systematic study of the magnetic properties of L1 $_{0}$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations…

cond-mat.mtrl-sci2014

Structure and dehydration mechanism of the proton conducting oxide Ba $_{2}$ In $_{2}$ O $_{5}$ (H $_{2}$ O) $_{x}$

J. Bielecki, S. F. Parker, L. Borjesson +1

The structure and dehydration mechanism of the proton conducting oxide Ba $_{2}$ In $_{2}$ O $_{5}$ (H $_{2}$ O) $_{x}$ are investigated by means of variable temperature Raman spectroscopy…

Magnetism and electronic structure calculation of SmN

Resistance noise at the metal-insulator transition in thermochromic VO2 films

Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst

Anti-site disorder and improved functionality of Mn2​Ni{\it X} ({\it X}= Al, Ga, In, Sn) inverse Heusler alloys

First-principles study of the lattice instabilities in Mn2​Ni{\it X} ({\it X}= Al, Ga, In, Sn) magnetic shape memory alloys

Surface aligned magnetic moments and hysteresis of an endohedral single-molecule magnet on a metal

Crystallization characteristics and chemical bonding properties of nickel carbide thin film nanocomposites

Increased magnetocrystalline anisotropy in epitaxial Fe-Co-C thin films with spontaneous strain

Magnetism in stoichiometric and off-stoichiometric MnO clusters: Insights from {\it ab initio} theory

Thickness dependence of dynamic and static magnetic properties of pulsed laser deposited La0.7​Sr0.3​MnO3​ films on SrTiO3​(001)

Achieving atomic resolution magnetic dichroism by controlling the phase symmetry of an electron probe

Thermodynamics around the First-Order Ferromagnetic Phase Transition of Fe2​P Single Crystals

Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations

Microscopic electronic configurations after ultrafast magnetization dynamics

Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys

First-principles study of point defects at semicoherent interface

Lithium Diffusion & Magnetism in Battery Cathode Material LixNi1/3Co1/3Mn1/3O2

Temperature evolution of structural and magnetic properties of stoichiometric LiCu2O2: correlation of thermal expansion coefficient and magnetic order

Dirac materials

Fe clusters (Fen​, n=1-6) chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment and magnetic anisotropy

Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

Electronic Structure and Lattice Dynamics in the FeSb3​ Skutterudite from Density Functional Theory

Electronic structure and magnetic properties of L1_0 binary alloys

Structure and dehydration mechanism of the proton conducting oxide Ba2​In2​O5​(H2​O)x​

Anti-site disorder and improved functionality of Mn $_{2}$ Ni{\it X} ({\it X}= Al, Ga, In, Sn) inverse Heusler alloys

First-principles study of the lattice instabilities in Mn $_{2}$ Ni{\it X} ({\it X}= Al, Ga, In, Sn) magnetic shape memory alloys

Thickness dependence of dynamic and static magnetic properties of pulsed laser deposited La $_{0.7}$ Sr $_{0.3}$ MnO $_{3}$ films on SrTiO $_{3}$ (001)

Thermodynamics around the First-Order Ferromagnetic Phase Transition of $Fe_{2} P$ Single Crystals

Fe clusters (Fe $_{n}$ , n=1-6) chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment and magnetic anisotropy

Electronic Structure and Lattice Dynamics in the FeSb $_{3}$ Skutterudite from Density Functional Theory

Structure and dehydration mechanism of the proton conducting oxide Ba $_{2}$ In $_{2}$ O $_{5}$ (H $_{2}$ O) $_{x}$