Calculated Phase Diagram for the γ⇌α Transition in Ce

Børje Johansson; I. A. Abrikosov; Magnus Aldén; Andrei Ruban; Hans Lomholt Skriver

doi:10.1103/PhysRevLett.74.2335

Calculated Phase Diagram for the γ⇌α Transition in Ce

Børje Johansson
, I. A. Abrikosov
, Magnus Aldén
, Andrei Ruban
, Hans Lomholt Skriver

Uppsala University

Research output: Contribution to journal › Journal article › Research › peer-review

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Abstract

We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed.

Original language	English
Journal	Physical Review Letters
Volume	74
Issue number	12
ISSN	0031-9007
DOIs	https://doi.org/10.1103/PhysRevLett.74.2335
Publication status	Published - 1995

Bibliographical note

Copyright (1995) by the American Physical Society.

Keywords

APPROXIMATION
HIGH-PRESSURE
MODEL
THERMAL-PROPERTIES
KONDO VOLUME-COLLAPSE
METALS
CERIUM
ALLOYS
TOTAL-ENERGY
LOCAL-DENSITY

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title = "Calculated Phase Diagram for the γ⇌α Transition in Ce",

abstract = "We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed.",

keywords = "APPROXIMATION, HIGH-PRESSURE, MODEL, THERMAL-PROPERTIES, KONDO VOLUME-COLLAPSE, METALS, CERIUM, ALLOYS, TOTAL-ENERGY, LOCAL-DENSITY",

author = "B{\o}rje Johansson and Abrikosov, \{I. A.\} and Magnus Ald{\'e}n and Andrei Ruban and Skriver, \{Hans Lomholt\}",

note = "Copyright (1995) by the American Physical Society.",

year = "1995",

doi = "10.1103/PhysRevLett.74.2335",

language = "English",

volume = "74",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

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T1 - Calculated Phase Diagram for the γ⇌α Transition in Ce

AU - Johansson, Børje

AU - Abrikosov, I. A.

AU - Aldén, Magnus

AU - Ruban, Andrei

AU - Skriver, Hans Lomholt

N1 - Copyright (1995) by the American Physical Society.

PY - 1995

Y1 - 1995

N2 - We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed.

AB - We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed.

KW - APPROXIMATION

KW - HIGH-PRESSURE

KW - MODEL

KW - THERMAL-PROPERTIES

KW - KONDO VOLUME-COLLAPSE

KW - METALS

KW - CERIUM

KW - ALLOYS

KW - TOTAL-ENERGY

KW - LOCAL-DENSITY

U2 - 10.1103/PhysRevLett.74.2335

DO - 10.1103/PhysRevLett.74.2335

M3 - Journal article

SN - 0031-9007

VL - 74

JO - Physical Review Letters

JF - Physical Review Letters

IS - 12

ER -

Calculated Phase Diagram for the γ⇌α Transition in Ce

Abstract

Bibliographical note

Keywords

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