The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd5(SixGe1-x)4 system near x = 0.5

V. K. Pecharsky; G. D. Samolyuk; V. P. Antropov; A. O. Pecharsky; K. A. Gschneidner

doi:10.1016/S0022-4596(02)00146-9

The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd₅(Si_xGe_1-x)₄ system near x = 0.5

V. K. Pecharsky, G. D. Samolyuk, V. P. Antropov, A. O. Pecharsky, K. A. Gschneidner

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

95 Scopus citations

Abstract

The crystal structure, magnetic and other physical properties of the intermetallic Gd₅(Si_xGe_1-x)₄ phases are strongly dependent on the Si:Ge ratio (x). Especially intriguing behavior is observed when the chemical composition in this system is near x≅0.5, where small changes in the stoichiometry result in drastic variations in the chemical bonding, electronic structure, crystal structure, and magnetism. Furthermore, the fully reversible magnetic/crystallographic (T_C≅270K) and the irreversible thermoelastic crystallographic (between ∼500 and ∼750K) transformations exist near this critical chemical composition. Both of these transformations involve the same two crystallographic modifications: the monoclinic Gd₅(Si₂Ge₂)-type (β) and the orthorhombic Gd₅Si₄-type structures (α and γ). First principle calculations of the electronic structure and exchange coupling of these materials are in nearly quantitative agreement with the experiment. It appears that the unusual behavior observed in the near critical Gd₅(Si_xGe_1-x)₄ phases is closely related to the stability of the well-defined sub-nanometer thick atomic slabs coupled with the flexibility of their arrangements.

Original language	English
Pages (from-to)	57-68
Number of pages	12
Journal	Journal of Solid State Chemistry
Volume	171
Issue number	1-2
DOIs	https://doi.org/10.1016/S0022-4596(02)00146-9
State	Published - 2003
Externally published	Yes

Funding

The authors express their gratitude to Dr. E. Brück who raised the question about the possibility of the magnetic shape memory effect and with whom we had fruitful discussions of this phenomenon. We also are indebted to Drs. K.D. Belashchenko, L.S. Chumbley, B.N. Harmon, D.C. Jiles, T.A. Lograsso, G.J. Miller, J.E. Snyder and C. Stassis for continuing productive discussions related to many aspects of chemistry, materials science and physics of the title materials. The Ames Laboratory is operated by Iowa State University for the US Department of Energy (DOE) under Contract W-7405-ENG-82. This work was supported by the Office of Basic Energy Sciences, Materials Sciences Division of the US DOE.

Funders	Funder number
Office of Basic Energy Sciences
US Department of Energy
U.S. Department of Energy	W-7405-ENG-82
Ames Laboratory

Access to Document

10.1016/S0022-4596(02)00146-9

Cite this

@article{14e865c4cc2b4f00b3fd38e8ea80d8a7,

title = "The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd5(SixGe1-x)4 system near x = 0.5",

abstract = "The crystal structure, magnetic and other physical properties of the intermetallic Gd5(SixGe1-x)4 phases are strongly dependent on the Si:Ge ratio (x). Especially intriguing behavior is observed when the chemical composition in this system is near x≅0.5, where small changes in the stoichiometry result in drastic variations in the chemical bonding, electronic structure, crystal structure, and magnetism. Furthermore, the fully reversible magnetic/crystallographic (TC≅270K) and the irreversible thermoelastic crystallographic (between ∼500 and ∼750K) transformations exist near this critical chemical composition. Both of these transformations involve the same two crystallographic modifications: the monoclinic Gd5(Si2Ge2)-type (β) and the orthorhombic Gd5Si4-type structures (α and γ). First principle calculations of the electronic structure and exchange coupling of these materials are in nearly quantitative agreement with the experiment. It appears that the unusual behavior observed in the near critical Gd5(SixGe1-x)4 phases is closely related to the stability of the well-defined sub-nanometer thick atomic slabs coupled with the flexibility of their arrangements.",

author = "Pecharsky, {V. K.} and Samolyuk, {G. D.} and Antropov, {V. P.} and Pecharsky, {A. O.} and Gschneidner, {K. A.}",

year = "2003",

doi = "10.1016/S0022-4596(02)00146-9",

language = "English",

volume = "171",

pages = "57--68",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Elsevier",

number = "1-2",

}

TY - JOUR

T1 - The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd5(SixGe1-x)4 system near x = 0.5

AU - Pecharsky, V. K.

AU - Samolyuk, G. D.

AU - Antropov, V. P.

AU - Pecharsky, A. O.

AU - Gschneidner, K. A.

PY - 2003

Y1 - 2003

N2 - The crystal structure, magnetic and other physical properties of the intermetallic Gd5(SixGe1-x)4 phases are strongly dependent on the Si:Ge ratio (x). Especially intriguing behavior is observed when the chemical composition in this system is near x≅0.5, where small changes in the stoichiometry result in drastic variations in the chemical bonding, electronic structure, crystal structure, and magnetism. Furthermore, the fully reversible magnetic/crystallographic (TC≅270K) and the irreversible thermoelastic crystallographic (between ∼500 and ∼750K) transformations exist near this critical chemical composition. Both of these transformations involve the same two crystallographic modifications: the monoclinic Gd5(Si2Ge2)-type (β) and the orthorhombic Gd5Si4-type structures (α and γ). First principle calculations of the electronic structure and exchange coupling of these materials are in nearly quantitative agreement with the experiment. It appears that the unusual behavior observed in the near critical Gd5(SixGe1-x)4 phases is closely related to the stability of the well-defined sub-nanometer thick atomic slabs coupled with the flexibility of their arrangements.

AB - The crystal structure, magnetic and other physical properties of the intermetallic Gd5(SixGe1-x)4 phases are strongly dependent on the Si:Ge ratio (x). Especially intriguing behavior is observed when the chemical composition in this system is near x≅0.5, where small changes in the stoichiometry result in drastic variations in the chemical bonding, electronic structure, crystal structure, and magnetism. Furthermore, the fully reversible magnetic/crystallographic (TC≅270K) and the irreversible thermoelastic crystallographic (between ∼500 and ∼750K) transformations exist near this critical chemical composition. Both of these transformations involve the same two crystallographic modifications: the monoclinic Gd5(Si2Ge2)-type (β) and the orthorhombic Gd5Si4-type structures (α and γ). First principle calculations of the electronic structure and exchange coupling of these materials are in nearly quantitative agreement with the experiment. It appears that the unusual behavior observed in the near critical Gd5(SixGe1-x)4 phases is closely related to the stability of the well-defined sub-nanometer thick atomic slabs coupled with the flexibility of their arrangements.

UR - http://www.scopus.com/inward/record.url?scp=0037960119&partnerID=8YFLogxK

U2 - 10.1016/S0022-4596(02)00146-9

DO - 10.1016/S0022-4596(02)00146-9

M3 - Article

AN - SCOPUS:0037960119

SN - 0022-4596

VL - 171

SP - 57

EP - 68

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

IS - 1-2

ER -

The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd₅(Si_xGe_1-x)₄ system near x = 0.5

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this