Pressure induced phase transition in Fe0.47NbS2 studied by powder X-ray diffraction

L. Ehm; K. Knorr; L. Peters; S. Rath; W. Depmeier

doi:10.1016/j.jallcom.2006.04.007

Pressure induced phase transition in Fe_0.47NbS₂ studied by powder X-ray diffraction

L. Ehm
, K. Knorr
, L. Peters
, S. Rath
, W. Depmeier

Geosciences

Stony Brook University
Kiel University

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

The structural behavior of Fe_0.47 NbS₂ at high pressure has been investigated by angular dispersive synchrotron powder diffraction up to 13.63(7) GPa. A first-order phase transition was observed between 6.92(4) and 7.49(4) GPa. It is an isostructural transition that is accompanied by a volume discontinuity of about 4% at the transition. The compression behavior of the structure is highly anisotropic. The compressibility perpendicular to the layers is significantly higher than within the layers. The bulk moduli, derived from fits of second-order Birch-Murnaghan equations of state, are B₀ = 87 (1) GPa for the low-pressure phase Fe_0.47 NbS₂-I and B₀ = 112 (1) GPa for the high-pressure phase Fe_0.47 NbS₂-II, respectively. A change in the electronic or spin state of the iron in the van der Waals gap is assumed to govern the observed phase transi- tion.

Original language	English
Pages (from-to)	82-86
Number of pages	5
Journal	Journal of Alloys and Compounds
Volume	429
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jallcom.2006.04.007
State	Published - Feb 21 2007

Keywords

Crystal structure
High pressure
Phase transition
Semiconductors
X-ray diffraction

Access to Document

10.1016/j.jallcom.2006.04.007

Cite this

@article{17286ba926594ec89d91060dcd8bd050,

title = "Pressure induced phase transition in Fe0.47NbS2 studied by powder X-ray diffraction",

abstract = "The structural behavior of Fe0.47 NbS2 at high pressure has been investigated by angular dispersive synchrotron powder diffraction up to 13.63(7) GPa. A first-order phase transition was observed between 6.92(4) and 7.49(4) GPa. It is an isostructural transition that is accompanied by a volume discontinuity of about 4\% at the transition. The compression behavior of the structure is highly anisotropic. The compressibility perpendicular to the layers is significantly higher than within the layers. The bulk moduli, derived from fits of second-order Birch-Murnaghan equations of state, are B0 = 87 (1) GPa for the low-pressure phase Fe0.47 NbS2-I and B0 = 112 (1) GPa for the high-pressure phase Fe0.47 NbS2-II, respectively. A change in the electronic or spin state of the iron in the van der Waals gap is assumed to govern the observed phase transi- tion.",

keywords = "Crystal structure, High pressure, Phase transition, Semiconductors, X-ray diffraction",

author = "L. Ehm and K. Knorr and L. Peters and S. Rath and W. Depmeier",

year = "2007",

month = feb,

day = "21",

doi = "10.1016/j.jallcom.2006.04.007",

language = "English",

volume = "429",

pages = "82--86",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

number = "1-2",

}

TY - JOUR

T1 - Pressure induced phase transition in Fe0.47NbS2 studied by powder X-ray diffraction

AU - Ehm, L.

AU - Knorr, K.

AU - Peters, L.

AU - Rath, S.

AU - Depmeier, W.

PY - 2007/2/21

Y1 - 2007/2/21

N2 - The structural behavior of Fe0.47 NbS2 at high pressure has been investigated by angular dispersive synchrotron powder diffraction up to 13.63(7) GPa. A first-order phase transition was observed between 6.92(4) and 7.49(4) GPa. It is an isostructural transition that is accompanied by a volume discontinuity of about 4% at the transition. The compression behavior of the structure is highly anisotropic. The compressibility perpendicular to the layers is significantly higher than within the layers. The bulk moduli, derived from fits of second-order Birch-Murnaghan equations of state, are B0 = 87 (1) GPa for the low-pressure phase Fe0.47 NbS2-I and B0 = 112 (1) GPa for the high-pressure phase Fe0.47 NbS2-II, respectively. A change in the electronic or spin state of the iron in the van der Waals gap is assumed to govern the observed phase transi- tion.

AB - The structural behavior of Fe0.47 NbS2 at high pressure has been investigated by angular dispersive synchrotron powder diffraction up to 13.63(7) GPa. A first-order phase transition was observed between 6.92(4) and 7.49(4) GPa. It is an isostructural transition that is accompanied by a volume discontinuity of about 4% at the transition. The compression behavior of the structure is highly anisotropic. The compressibility perpendicular to the layers is significantly higher than within the layers. The bulk moduli, derived from fits of second-order Birch-Murnaghan equations of state, are B0 = 87 (1) GPa for the low-pressure phase Fe0.47 NbS2-I and B0 = 112 (1) GPa for the high-pressure phase Fe0.47 NbS2-II, respectively. A change in the electronic or spin state of the iron in the van der Waals gap is assumed to govern the observed phase transi- tion.

KW - Crystal structure

KW - High pressure

KW - Phase transition

KW - Semiconductors

KW - X-ray diffraction

UR - https://www.scopus.com/pages/publications/33846623742

U2 - 10.1016/j.jallcom.2006.04.007

DO - 10.1016/j.jallcom.2006.04.007

M3 - Article

AN - SCOPUS:33846623742

SN - 0925-8388

VL - 429

SP - 82

EP - 86

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

IS - 1-2

ER -

Pressure induced phase transition in Fe_0.47NbS₂ studied by powder X-ray diffraction

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this