liu.seSök publikationer i DiVA
Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Pressure enhancement of the isostructural cubic decomposition in Ti1−xAlxN
Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska högskolan.
Linköpings universitet, Institutionen för fysik, kemi och biologi, Nanostrukturerade material. Linköpings universitet, Tekniska högskolan.ORCID-id: 0000-0002-2286-5588
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.ORCID-id: 0000-0002-2837-3656
Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska högskolan.
2009 (Engelska)Ingår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 95, nr 181906Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The influence of pressure on the phase stabilities of Ti1−xAlxN solid solutions has been studied using first principles calculations. We find that the application of hydrostatic pressure enhances the tendency for isostructural decomposition, including spinodal decomposition. The effect originates in the gradual pressure stabilization of cubic AlN with respect to the wurtzite structure and an increased isostructural cubic mixing enthalpy with increased pressure. The influence is sufficiently strong in the composition-temperature interval corresponding to a shoulder of the spinodal line that it could impact the stability of the material at pressures achievable in the tool-work piece contact during cutting operations

Ort, förlag, år, upplaga, sidor
2009. Vol. 95, nr 181906
Nyckelord [en]
ab initio calculations, aluminium compounds, enthalpy, high-pressure effects, mixing, solid solutions, spinodal decomposition, titanium compounds
Nationell ämneskategori
Naturvetenskap
Identifikatorer
URN: urn:nbn:se:liu:diva-51569DOI: 10.1063/1.3256196OAI: oai:DiVA.org:liu-51569DiVA, id: diva2:275795
Anmärkning
Original Publication: Björn Alling, Magnus Odén, Lars Hultman and Igor Abrikosov, Pressure enhancement of the isostructural cubic decomposition in Ti1-xAlxN, 2009, Applied Physics Letters, (95), 181906. http://dx.doi.org/10.1063/1.3256196 Copyright: American Institute of Physics http://www.aip.org/ Tillgänglig från: 2009-11-07 Skapad: 2009-11-07 Senast uppdaterad: 2017-12-12
Ingår i avhandling
1. Configurational and Magnetic Interactions in Multicomponent Systems
Öppna denna publikation i ny flik eller fönster >>Configurational and Magnetic Interactions in Multicomponent Systems
2010 (Engelska)Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
Abstract [en]

This thesis is a theoretical study of configurational and magnetic interactions in multicomponent solids. These interactions are the projections onto the configurational and magnetic degrees of freedom of the underlying electronic quantum mechanical system, and can be used to model, explain and predict the properties of materials. For example, the interactions govern temperature induced configurational and magnetic order-disorder transitions in Heusler alloys and ternary nitrides.

In particular three perspectives are studied. The first is how the interactions can be derived from first-principles calculations at relevant physical conditions. The second is their consequences, like the critical temperatures for disordering, obtained with e.g. Monte Carlo simulations. The third is their origin in terms of the underlying electronic structure of the materials.

Intrinsic defects in the half-Heusler system NiMnSb are studied and it is found that low-energy defects do not destroy the important half-metallic property at low concentrations. Deliberate doping of NiMnSb with 3d-metals is considered and it is found that replacing some Ni with extra Mn or Cr creates new strong magnetic interactions which could be beneficial for applications at elevated temperature. A self-consistent scheme to include the effects of thermal expansion and one-electron excitations in the calculation of the magnetic critical temperature is introduced and applied to a study of Ni1−xCuxMnSb.

A supercell implementation of the disordered local moments approach is suggested and benchmarked for the treatment of paramagnetic CrN as a disordered magnetic phase. It is found that the orthorhombic-to-cubic phase transition in this nitride can be understood as a first-order magnetic order-disorder transition. The ferromagnetism in Ti1−xCrxN solid solutions, an unusual property in nitrides, is explained in terms of a charge transfer induced change in the Cr-Cr magnetic interactions.

Cubic Ti1−xAlxN solid solutions displays a complex and concentration dependent phase separation tendency. A unified cluster expansion method is presented that can be used to simulate the configurational thermodynamics of this system. It is shown that short range clustering do influence the free energy of mixing but only slightly change the isostructural phase diagram as compared to mean-field estimates.

Ort, förlag, år, upplaga, sidor
Linköping: Linköpings Universitet, 2010. s. 98
Serie
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 1334
Nyckelord
Magnetic interactions, Configurational thermodynamics, Curie temperature, theoretical physics, magnetism, TiAlN, TiN, AlN, CrN, TiCrN, nitrides, NiMnSb, NiCuMnSb, Heusler alloys, spintronics, half-metallic, spinodal decomposition, first-principles, ab-initio
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
urn:nbn:se:liu:diva-60446 (URN)978-91-7393-330-8 (ISBN)
Disputation
2010-09-09, Planck, Fysikhuset, Campus Valla, Linköping University, Linköping, 10:15 (Engelska)
Opponent
Handledare
Tillgänglig från: 2010-11-17 Skapad: 2010-10-13 Senast uppdaterad: 2016-08-31Bibliografiskt granskad

Open Access i DiVA

fulltext(270 kB)456 nedladdningar
Filinformation
Filnamn FULLTEXT01.pdfFilstorlek 270 kBChecksumma SHA-512
929863a2781d47658712ce0f7fc184c29e8c2b34d7c1032f4403b2c0df71b7abfa4471d6701e164244293cc648abcc6d03b2bf84f9162bf5e28d7f93a6fe4e61
Typ fulltextMimetyp application/pdf

Övriga länkar

Förlagets fulltext

Personposter BETA

Alling, BjörnOdén, MagnusHultman, LarsAbrikosov, Igor

Sök vidare i DiVA

Av författaren/redaktören
Alling, BjörnOdén, MagnusHultman, LarsAbrikosov, Igor
Av organisationen
Teoretisk FysikTekniska högskolanNanostrukturerade materialTunnfilmsfysik
I samma tidskrift
Applied Physics Letters
Naturvetenskap

Sök vidare utanför DiVA

GoogleGoogle Scholar
Totalt: 456 nedladdningar
Antalet nedladdningar är summan av nedladdningar för alla fulltexter. Det kan inkludera t.ex tidigare versioner som nu inte längre är tillgängliga.

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 1178 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf