Research Explorer

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Researcher

Stefaan Cottenier

Awards & Distinctions

130 Results

2024

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele BosoniLouis BealMarnik BercxPeter BlahaStefan BluegelJens BroederMartin CallsenStefaan CottenierAugustin DegommeVladimir Dikan et al.

A1 Journal Article in NATURE REVIEWS PHYSICS

2023

Hyperfine properties at Zr sites of Zr-based compounds : a DFT FP-LAPW and GIPAW study

A. V. Gil RebazaA. M. Mudarra NavarroM. A. TaylorA. ErricoStefaan Cottenier

A1 Journal Article in PHYSICA B-CONDENSED MATTER

On the feasibility of online terbium extraction at ISOL@MYRRHA

Benji LeendersAlexander AertsThomas E. CocoliosStefaan CottenierDonald HoungboLucia Popescu

A1 Journal Article in NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

2022

Towards accurate processing-structure-property links using deep learning

Michiel LarmuseauKoenraad TheuwissenKurt LejaeghereLode DuprezTom DhaeneStefaan Cottenier

A1 Journal Article in SCRIPTA MATERIALIA

Twofold rattling mode-induced ultralow thermal conductivity in vacancy-ordered double perovskite Cs2SnI6

Un-Gi JongYun-Sim KimChol-Hyok RiYun-Hyok KyeChol-Jin PakStefaan CottenierChol-Jun Yu

A1 Journal Article in CHEMICAL COMMUNICATIONS

2021

Hg adatoms on graphene : a first-principles study

A. S. FentaC. O. AmorimJ. N. GonçalvesN. FortunatoM. B. BarbosaJ. P. AraujoM. HoussaStefaan CottenierM. J. Van BaelJ. G. Correia et al.

A1 Journal Article in JOURNAL OF PHYSICS-MATERIALS

Machine learning for microstructure analysis of steel

Michiel LarmuseauStefaan CottenierTom DhaeneLode Duprez

Metal phosphide CuP2 as a promising thermoelectric material : an insight from a first-principles study

Un-Gi JongChol-Hyok RiChol-Jin PakChol-Hyok KimStefaan CottenierChol-Jun Yu

A1 Journal Article in NEW JOURNAL OF CHEMISTRY

Race against the machine : can deep learning recognize microstructures as well as the trained human eye?

Michiel LarmuseauMichael SluydtsKoenraad TheuwissenLode DuprezTom DhaeneStefaan Cottenier

A1 Journal Article in SCRIPTA MATERIALIA

Reactivity of single transition metal atoms on a hydroxylated amorphous silica surface : a periodic conceptual DFT investigation

Xavier DeraetJan TurekMercedes AlonsoFrederik TielensStefaan CottenierPaul W. AyersBert M. WeckhuysenFrank De Proft

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL

Structural and electrochemical trends in mixed manganese oxides Nax(M0.44Mn0.56)O2 (M = Mn, Fe, Co, Ni) for sodium-ion battery cathode

Chol-Jun YuYong-Chol PakChung-Hyok KimJin-Song KimKum-Chol RiKwang-Hyok RiSong-Hyok ChoeStefaan Cottenier

A1 Journal Article in JOURNAL OF POWER SOURCES

The electric field gradient as a signature of the binding and the local structure of adatoms on graphene

A. S. FentaC. O. AmorimJ. N. GonçalvesN. FortunatoM. B. BarbosaStefaan CottenierJ. G. CorreiaL. M. C. PereiraV. S. Amaral

A1 Journal Article in APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

2020

Compact representations of microstructure images using triplet networks

Michiel LarmuseauMichael SluydtsKoenraad TheuwissenLode DuprezTom DhaeneStefaan Cottenier

A1 Journal Article in NPJ COMPUTATIONAL MATERIALS

The Abinit project : impact, environment and recent developments

Xavier GonzeBernard AmadonGabriel AntoniusFrédéric ArnardiLucas BaguetJean-Michel BeukenJordan BiederFrançois BottinJohann BouchetEric Bousquet et al.

A1 Journal Article in COMPUTER PHYSICS COMMUNICATIONS

2019

A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit

Sam De WaeleKurt LejaeghereElke LeunisLode DuprezStefaan Cottenier

A1 Journal Article in JOURNAL OF ALLOYS AND COMPOUNDS

Alternative approach to populate and study the Th-229 nuclear clock isomer

M. VerlindeS. KraemerJ. MoensK. ChrysalidisJ. G. CorreiaStefaan CottenierH. De WitteD. V. FedorovV. N. FedosseevR. Ferrer et al.

A1 Journal Article in PHYSICAL REVIEW C

Po-210 production in the European DEMO fusion reactor

Merlijn MertensUlrich FischerPavel PereslavtsevRobert StieglitzJean-Marie NoterdaemeStefaan Cottenier

A1 Journal Article in NUCLEAR FUSION

Po-containing molecules in fusion and fission reactors

Merlijn MertensAlexander AertsIvan InfanteJörg NeuhausenStefaan Cottenier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY LETTERS

Predicting phase stability in nitrogen steels with density-functional theory

Sam De WaeleStefaan CottenierLode DuprezKurt Lejaeghere

The production and molecular occurrence of radiotoxic Po-210 in nuclear fusion and fission reactors

Merlijn MertensStefaan CottenierRobert StieglitzJean-Marie Noterdaeme

2018

A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths

Kaustubh HakimAttilio RivoldiniTim Van HoolstStefaan CottenierJan JaekenThomas ChustGerd Steinle-Neumann

A1 Journal Article in ICARUS

2017

Density functional theory study on the B doping and B/P codoping of Si nanocrystals embedded in SiO2

Zhenyi NiXiaodong PiStefaan CottenierDeren Yang

A1 Journal Article in PHYSICAL REVIEW B

Density functional theory study on the B doping and B/P codoping of Si nanocrystals embedded in SiO2 (vol 95, 075307, 2017)

Zhenyi NiXiaodong PiStefaan CottenierDeren Yang

Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3

Syed Muhammad Alay-e-AbbasSafdar NazirStefaan CottenierAli Shaukat

A1 Journal Article in SCIENTIFIC REPORTS

Formation, structures and electronic properties of silicene oxides on Ag(111)

Muhammad AliZhenyi NiStefaan CottenierYong LiuXiaodong PiDeren Yang

A1 Journal Article in JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

High-throughput screening of extrinsic point defect properties in Si and Ge : database and applications

Michael SluydtsMichael PietersJan VanhellemontVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in CHEMISTRY OF MATERIALS

Multi-method identification and characterization of the intermetallic surface layers of hot-dip Al-coated steel: FeAl 3 or Fe 4 Al 13 and Fe 2 Al 5 or Fe 2 Al 5+x

Antoine Van AlboomBabs LemmensBenjamin BreitbachEddy De GraveStefaan CottenierKim Verbeken

A1 Journal Article in SURFACE & COATINGS TECHNOLOGY

Precipitation in simultaneously nitrided and aged Mo-containing maraging steel

An VerdiereChristina HoferSam De WaeleVitaliy BliznukSophie PrimigStefaan CottenierMinh Duc TranBert PenningsLeo KestensRoumen Petrov

A1 Journal Article in MATERIALS CHARACTERIZATION

2016

Ab initio study of the trapping of polonium on noble metals

Kim RijpstraAndy Van Yperen-De DeyneEA MaugeriJ NeuhausenMichel WaroquierVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Adsorption of volatile polonium and bismuth species on metals in various gas atmospheres : part I : adsorption of volatile polonium and bismuth on gold

Emilio Andrea MaugeriJörg NeuhausenRobert EichlerRugard DresslerKim RijpstraStefaan CottenierDavid PiguetAlexander VögeleDorothea Schumann

A1 Journal Article in RADIOCHIMICA ACTA

Electronic structure and magnetic properties of dilute U impurities in metals

SK MohantaStefaan CottenierSN Mishra

A1 Journal Article in JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Error estimates for density-functional theory predictions of surface energy and work function

Sam De WaeleKurt LejaeghereMichael SluydtsStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

Is the error on first-principles volume predictions absolute or relative?

Kurt LejaeghereLouis VanduyfhuysToon VerstraelenVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in COMPUTATIONAL MATERIALS SCIENCE

Ligand Addition Energy and the Stoichiometry of Colloidal Nanocrystals

Kim De NolfMichael SluydtsVeronique Van SpeybroeckStefaan CottenierZeger Hens

Ligand addition energies and the stoichiometry of colloidal nanocrystals

Michael SluydtsKim De NolfVeronique Van SpeybroeckStefaan CottenierZeger Hens

A1 Journal Article in ACS NANO

Precision of electric-field gradient predictions by density functional theory and implications for the nuclear quadrupole moment and its error bar of the Cd-111 245 keV 5/2(+) level

Leonardo ErricoKurt LejaeghereJorge RuncoSN MishraMario RenteriaStefaan Cottenier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Queue Manager: high-throughput density-functional theory screening software for materials discovery and design

Michael SluydtsStefaan CottenierZeger Hens

Reproducibility in density functional theory calculations of solids

Kurt LejaeghereG BihlmayerT BjorkmanP BlahaS BlugelV BlumD CalisteIE CastelliSJ ClarkA Dal Corso et al.

A1 Journal Article in SCIENCE

Solving the Christoffel equation: phase and group velocities

Jan JaekenStefaan Cottenier

A1 Journal Article in COMPUTER PHYSICS COMMUNICATIONS

2015

Binary and ternary po-containing molecules relevant for LBE cooled reactors at operating temperature

Andy Van Yperen-De DeyneKim RijpstraMichel WaroquierVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Controlling the size of hot injection made Nanocrystals by manipulating the diffusion coefficient of the solute

Kim De NolfRichard K CapekSofie AbéMichael SluydtsYoungjin JangJosé MartinsStefaan CottenierEfrat LifshitzZeger Hens

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Doping of CeO2 as a tunable buffer layer for coated superconductors: a DFT study of mechanical and electronic properties

Danny VanpouckeStefaan CottenierPatrick BultinckVeronique Van SpeybroeckIsabel Van Driessche

2014

Ab initio based thermal property predictions at a low cost : an error analysis

Kurt LejaeghereJan JaekenVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

Ab initio screening of suitable tungsten alloys as first-wall material in nuclear fusion reactors

Kurt LejaeghereVeronique Van SpeybroeckStefaan Cottenier

Aliovalent doping of CeO2 : DFT study of oxidation state and vacancy effects

Danny VanpouckePatrick BultinckStefaan CottenierVeronique Van SpeybroeckIsabel Van Driessche

A1 Journal Article in JOURNAL OF MATERIALS CHEMISTRY A

Controlling the nano-particle size by manipulating the diffusion coefficient of the solute

Kim De NolfRichard K CapekSofie AbéMichael SluydtsYoungjin JangStefaan CottenierEfrat LifshitzZeger Hens

Density functional theory as a tool to get more out of experimental data: case-studies for Al-Zn-O and for the interaction between Po and Pb-Bi-eutectic

Kim RijpstraStefaan CottenierVeronique Van Speybroeck

Error estimates for solid-state density-functional theory predictions: an overview by means of the ground-state elemental crystals

Kurt LejaeghereVeronique Van SpeybroeckGuido Van OostStefaan Cottenier

A1 Journal Article in CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

Hirshfeld-I charges : from molecules to solids : implementation, pitfalls and applications

Danny VanpouckeStefaan CottenierToon VerstraelenVeronique Van SpeybroeckSofie Van DammePatrick BultinckIsabel Van Driessche

Reactivity of CO on carbon-covered cobalt surfaces in Fischer-Tropsch synthesis

Lennart JoosIvo AW FilotStefaan CottenierEmiel JM HensenMichel WaroquierVeronique Van SpeybroeckRutger A van Santen

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Solution enthalpy of Po and Te in solid lead-bismuth eutectic

Kim RijpstraAndy Van Yperen-De DeyneJ NeuhausenVeronique Van SpeybroeckStefaan Cottenier

A1 Journal Article in JOURNAL OF NUCLEAR MATERIALS

Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence

Danny VanpouckeStefaan CottenierVeronique Van SpeybroeckIsabel Van DriesschePatrick Bultinck

A1 Journal Article in JOURNAL OF THE AMERICAN CERAMIC SOCIETY

2013

Ab initio modeling of ligand adsorption on colloidal CuInS2 quantum dots

Michael SluydtsZeger HensVeronique Van SpeybroeckStefaan Cottenier

An extended Pareto approach to computational materials design

Kurt LejaeghereStefaan CottenierVeronique Van Speybroeck

Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications

Danny VanpouckeStefaan CottenierVeronique Van SpeybroeckSofie Van DammePatrick BultinckIsabel Van Driessche

Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications

Danny VanpouckeSofie Van DammeStefaan CottenierPatrick BultinckIsabel Van DriesscheVeronique Van Speybroeck

Crystal structure prediction for supersaturated AZO : the case of Zn₃Al₂O₆

Kim RijpstraStefaan CottenierMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CRYSTENGCOMM

First-principles study of possible shallow donors in ZnAl2O4 spinel

H DixitNandan TandonStefaan CottenierR SanizD LamoenB Partoens

A1 Journal Article in PHYSICAL REVIEW B

Ranking the stars : a refined Pareto approach to computational materials design

Kurt LejaeghereStefaan CottenierVeronique Van Speybroeck

A1 Journal Article in PHYSICAL REVIEW LETTERS

Theoretical thermochemistry of Po interacting with LBE and filter materials

Kim RijpstraAndy Van Yperen-De DeyneMichel WaroquierStefaan CottenierVeronique Van Speybroeck

2012

Ab intio calculation of electric-field gradients: past, present and future

Stefaan Cottenier

Ab-initio prediction of thermoelastic properties of (exo-)planetary inner cores: working plan

Jan JaekenA RivoldiniT Van HoolstVeronique Van SpeybroeckMichel WaroquierStefaan Cottenier

Classical toy models for the monopole shift and the quadrupole shift

Katrin RoseStefaan Cottenier

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct observation of substitutional Ga after ion implantation in Ge by means of extended x-ray absorption fine structure

S DecosterB JohannessenCJ GloverStefaan CottenierT BierschenkH SalamaF KremerK TemstA VantommeMC Ridgway

A1 Journal Article in APPLIED PHYSICS LETTERS

Effect of carbon fouling of cobalt surfaces on the reactivity of CO in Fischer-Tropsch synthesis

Lennart JoosIAW FilotMichel WaroquierStefaan CottenierVeronique Van SpeybroeckRA van Santen

Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential

H DixitR SanizStefaan CottenierD LamoenB Partoens

A1 Journal Article in JOURNAL OF PHYSICS-CONDENSED MATTER

Finding candidate materials for the first wall of fusion reactors by an inverse strategy

Kurt LejaeghereStefaan CottenierMichel WaroquierVeronique Van Speybroeck

Is the 7/2(1)(-) isomer state of 43S spherical?

R ChevrierJM DaugasL GaudefroyY IchikawaH UenoM HassH HaasStefaan CottenierN AoiK Asahi et al.

A1 Journal Article in PHYSICAL REVIEW LETTERS

Lattice position and thermal stability of diluted As in Ge

S DecosterU WahlStefaan CottenierJG CorreiaT MendoncaLM AmorimLMC PereiraA Vantomme

A1 Journal Article in JOURNAL OF APPLIED PHYSICS

Pragmatic band gap calculations as a 'sieve' for experimental tabulations

Daria M. TomeckaStefaan CottenierVeronique Van SpeybroeckMichel Waroquier

Reactivity of CO on clean and carbon covered cobalt surfaces in Fischer-Tropsch synthesis

Lennart JoosIvo FilotMichel WaroquierStefaan CottenierVeronique Van SpeybroeckRutger A van Santen

Structural trends and band gaps within the Al-Zn-O system

Kim RijpstraStefaan CottenierMichel WaroquierVeronique Van Speybroeck

The ground state elemental crystals as a benchmark for solid state DFT: intrinsic accuracy and code comparison

Kurt LejaeghereGuido Van OostVeronique Van SpeybroeckStefaan Cottenier

The ground state elemental crystals as a benchmark set for solid state DFT properties

Kurt LejaeghereVeronique Van SpeybroeckGuido Van OostStefaan Cottenier

The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison

Kurt LejaeghereVeronique Van SpeybroeckGuido Van OostStefaan Cottenier

The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy

Kurt LejaeghereVeronique Van SpeybroeckGuido Van OostStefaan Cottenier

Theorethical thermochemistry of Po interacting with LBE and filter materials

Kim RijpstraAndy Van Yperen-De DeyneMichel WaroquierStefaan CottenierVeronique Van Speybroeck

Tuning of CeO₂ buffer layers for coated superconductors through doping

Danny VanpouckeStefaan CottenierVeronique Van SpeybroeckPatrick BultinckIsabel Van Driessche

A1 Journal Article in APPLIED SURFACE SCIENCE

2011

Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures : the Fe-Mo system

Kurt LejaeghereStefaan CottenierSerge ClaessensMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in PHYSICAL REVIEW B

Crystal structure prediction for iron as inner core material in heavy terrestrial planets

Stefaan CottenierMatt IJ ProbertTim Van HoolstVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in EARTH AND PLANETARY SCIENCE LETTERS

DFT study of La2Ce2O7 : a question of order

Danny VanpouckeVyshnavi NarayananStefaan CottenierVeronique Van SpeybroeckPatrick BultinckIsabel Van Driessche

Density functional theory study of La2Ce2O7 : disordered fluorite versus pyrochlore structure

Danny VanpouckePatrick BultinckStefaan CottenierVeronique Van SpeybroeckIsabel Van Driessche

A1 Journal Article in PHYSICAL REVIEW B

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4

H DixitN TandonStefaan CottenierR SanizD LamoenB PartoensVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in NEW JOURNAL OF PHYSICS

Hyperfine field and hyperfine anomalies of copper impurities in iron

VV GolovkoF WautersStefaan CottenierM BreitenfeldtV De LeebeeckS RocciaG SotiM TandeckiE TraykovS Van Gorp et al.

A1 Journal Article in PHYSICAL REVIEW C

Structure prediction in the Zn-Al-O phase diagram

Kim RijpstraStefaan CottenierMichel WaroquierVeronique Van Speybroeck

Tuning of CeO2 buffer layers for coated superconductors through metal doping

Danny VanpouckeStefaan CottenierVeronique Van SpeybroeckPatrick BultinckIsabel Van Driessche

2010

Crystalline Fe under TPa pressures: simple or complex?

Stefaan CottenierMatt ProbertVeronique Van SpeybroeckMichel Waroquier

Diluted manganese on the bond-centered site in germanium

S DecosterStefaan CottenierU WahlJG CorreiaLMC PereiraC LacastaMR Da SilvaA Vantomme

A1 Journal Article in APPLIED PHYSICS LETTERS

Dynamic lattice distortions in Sr2RuO4: microscopic studies by perturbed angular correlation spectroscopy and ab initio calculations

SN MishraM RotsStefaan Cottenier

A1 Journal Article in JOURNAL OF PHYSICS-CONDENSED MATTER

Electric field gradient and electronic properties of crown thioether compounds

Filipe Camargo Dalmatti Alves LimaRafael Rodrigues do NascimentoMarcos Brown GonçalvesStefaan CottenierMarília Junqueira CaldasHelena Maria Petrilli

Electron penetration into the nucleus and its effect on the quadrupole interaction

Katrin KochKlaus KoepernikDimitri Van NeckHelge RosnerStefaan Cottenier

Electron penetration into the nucleus and its effect on the quadrupole interaction

Katrin KochKlaus KoepernikDimitri Van NeckHelge RosnerStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW A

Lattice location study of ion implanted Sn and Sn-related defects in Ge

S DecosterStefaan CottenierU WahlJG CorreiaA Vantomme

A1 Journal Article in PHYSICAL REVIEW B

Self-organizing crystal structure

Mahendhran ArumugamGeorg RothHeike EmmerichStefaan Cottenier

Tuning Of CeO2 buffer layers through doping

Danny VanpouckeStefaan CottenierPatrick BultinckIsabel Van Driessche

2009

Ab initio modeling of glass corrosion: hydroxylation and chemisorption of oxalic acid at diopside and åkermanite surfaces

Chol-Jun YuJulia KundinStefaan CottenierHeike Emmerich

A1 Journal Article in ACTA MATERIALIA

Spin-density wave in Cr: nesting versus low-lying thermal excitations

Veerle VanhoofMichel RotsStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

The magnetization of gamma'-Fe4N: theory versus experiment

Eitel L. Peltzer y BlancaJudith DesimoniNiels E. ChristensenHeike EmmerichStefaan Cottenier

A1 Journal Article in PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Transition Metal Impurities on the Bond-Centered Site in Germanium

S. DecosterStefaan CottenierB. De VriesH. EmmerichJ.G. CorreiaA. Vantomme

A1 Journal Article in Physical Review Letters

γ'-Fe4N: facts, hypotheses and open questions

Stefaan Cottenier

2008

Hybrid exchange-correlation functionals applied to hyperfine interactions at lanthanide and actinide impurities in Fe

D TorumbaP NovakStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

Nuclear quadrupole moment of the Tc-99 ground state

Leonardo ErricoGerman DarribaMario RenteriaZhengning TangHeike EmmerichStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

2007

Structural characterization of the Zr4Al3 and Hf4Al3 compounds by means of hyperfine interaction studies

P WodnieckiA KulinskaB WodnieckaStefaan CottenierHM PetrilliM UhrmacherKP Lieb

A1 Journal Article in EPL

2006

Hyperfine interactions at lanthanide impurities in Fe

D TorumbaV VanhoofM RotsStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

Interpreting Mössbauer spectra reflecting an infinite number of sites : an application to Fe1-xSi synthesized by pulsed laser annealing

A FalepinStefaan CottenierCM ComrieA Vantomme

A1 Journal Article in PHYSICAL REVIEW B

Temperature dependence of the electric-field gradient in hcp-Cd from first principles

D TorumbaK ParlinskiM RotsStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW B

2004

Ab initio calculation of hyperfine interaction parameters: recent evolutions, recent examples

Stefaan CottenierVeerle VanhoofDoru TorumbaValerio BelliniMehmet CakmakMichel Rots

A1 Journal Article in HYPERFINE INTERACTIONS

Coordination dependence of hyperfine interactions at impurities on fcc metal surfaces. I. Electric-field gradient

Stefaan CottenierV BelliniM CakmakF ManghiM Rots

A1 Journal Article in PHYSICAL REVIEW B

Coordination-dependence of hyperfine interactions at impurities on fcc metal surfaces. II. Magnetic hyperfine field

V BelliniStefaan CottenierM CakmakF ManghiM Rots

A1 Journal Article in PHYSICAL REVIEW B

Strain analysis in ultrathin silicide layers in Fe/CsCl-(FeSi)-Fe-57/Fe sandwiches

B CroonenborghsFM AlmeidaStefaan CottenierM RotsA VantommeJ Meersschaut

A1 Journal Article in Applied Physics Letters

2003

Formation and microstructure of cubic metastable iron silicides synthesized during pulsed laser annealing

A FalepinStefaan CottenierC.M. ComrieO RichardH BenderG LangoucheA Vantomme

A1 Journal Article in Hyperfine Interactions

2002

Study of concentration variations in the metastable [CsCl]Fe1-xSi phase

A. FalepinC.M. ComrieStefaan CottenierA. Vantomme

A1 Journal Article in Materials Science and Engineering B-Solid State Material for Advanced Technology

Valency of rare earths in R In-3 and R Sn-3 : ab initio analysis of electric-field gradients

SJ AsadabadiStefaan CottenierH AkbarzadehR SakiM Rots

A1 Journal Article in PHYSICAL REVIEW B

What density-functional theory can tell us about the spin-density wave in Cr

Stefaan CottenierB De VriesJ MeersschautM Rots

A1 Journal Article in JOURNAL OF PHYSICS-CONDENSED MATTER

2001

An interference approach to perturbed angular correlation spectroscopy

Stefaan CottenierM. Rots

A1 Journal Article in Hyperfine Interactions

Dynamic spin correlations in U(In1-xSnx)(3) heavy-fermion compounds: a perturbed angular correlation study

Stefaan CottenierSN MishraS DemuynckJC SpirletJ MeersschautM Rots

A1 Journal Article in PHYSICAL REVIEW B

Hyperfine fields and local structure at 4d and 5sp impurities in bcc iron

Stefaan CottenierH Haas

A1 Journal Article in HYPERFINE INTERACTIONS

Magnetization changes induced by 4d/5sp impurities in iron

H HaasStefaan Cottenier

A1 Journal Article in JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Measurement of a strong atomic hyperfine field allowing the determination of nuclear g-factors in (sub)nanosecond states

K VyveyG NeyensStefaan CottenierDL BalabanskiN CoulierR CoussementG GeorgievA Lepine-SzilyS TernierS Teughels

A1 Journal Article in NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT

Spin fluctuations in Y1-xScxMn2 and Y(Mn1-xAlx)(2) observed by perturbed-angular-correlation spectroscopy

S DemuynckSN MishraAA TulapurkarStefaan CottenierJ MeersschautM Rots

A1 Journal Article in PHYSICA B-CONDENSED MATTER

2000

Hyperfine fields and local lattice relaxation at 4d and 5sp impurities in bcc iron

Stefaan CottenierHeinz Haas

A1 Journal Article in PHYSICAL REVIEW B

Local magnetism of isolated Mo atoms at substitutional and interstitial sites in Yb metal: experiment and theory

AA TulapurkarSN MishraRG PillayHG SalunkeGP DasStefaan Cottenier

A1 Journal Article in PHYSICAL REVIEW LETTERS

The magnetism of UX3 compounds (X = In, Pb, Ga) from symmetry considerations and perturbed-angular-correlation spectroscopy

S DemuynckL SandratskiiStefaan CottenierJ MeersschautM Rots

A1 Journal Article in JOURNAL OF PHYSICS-CONDENSED MATTER

1999

Electric-field gradients used to measure atomic short range order: U(In0.5Sn0.5)(3) as a case-study

Stefaan CottenierJ. MeersschautL. VermeireS. DemuynckB. SwinnenM. Rots

A1 Journal Article in European Physical Journal B

Longitudinal spin-density-wave ordering in thin epitaxial chromium layers

M. RotsS. DemuynckStefaan CottenierJ. DekosterJ. Meersschaut

A1 Journal Article in Journal of Applied Physics

Spin-density-wave magnetism in Cr studied by perturbed angular correlation spectroscopy

J. MeersschautJ. DekosterS. DemuynckStefaan CottenierB. SwinnenM. Rots

A1 Journal Article in Journal of Magnetism and Magnetic Materials

1998

Comment on 'Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface' : reply

B. SwinnenJ. MeersschautJ. DekosterG. LangoucheStefaan CottenierS. DemuynckM. Rots

Editorial material

Energy-resolved Mossbauer spectroscopy with broad-band synchrotron radiation

G. NeyensJ. OdeursR. CoussementC. L'abbéStefaan CottenierJ. Ladrière

A1 Journal Article in HYPERFINE INTERACTIONS

1995

Perturbed angular correlation study of the pseudo-binary system U(In1-xSnx)(3)

Stefaan CottenierAnniek ToyeM. RotsJ. C. SpirletJ. M. Winand

A1 Journal Article in PHYSICA B-CONDENSED MATTER

Perturbed-angular-correlation analysis of the magnetic state in the pseudo-binary system U(IN1-XSNX)(3)

Stefaan CottenierAnniek ToyeJC SPIRLETJM WINANDM ROTS

A1 Journal Article in JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS