Negative thermal expansion in ZnF2

被引：34

作者：

Chatterji, Tapan ^{[1
]}

Zbiri, Mohamed ^{[1
]}

Hansen, Thomas C. ^{[1
]}

机构：

[1] Inst Laue Langevin, F-38042 Grenoble 9, France

来源：

APPLIED PHYSICS LETTERS | 2011年 / 98卷 / 18期

关键词：

CRYSTALS; DIAMOND; ZRW2O8;

D O I：

10.1063/1.3588414

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated temperature dependence of the lattice parameters and the unit cell volume of ZnF2 by neutron diffraction and have discovered negative thermal expansion (NTE) at low temperature. To understand why this simple compound exhibits NTE we performed first principle calculations. These calculations reproduce qualitatively the experimental temperature dependence of volume. (C) 2011 American Institute of Physics. [doi:10.1063/1.3588414]

引用

收藏

页数：3

相关论文

共 16 条

[1] Negative thermal expansion [J].

Barrera, GD ;

Bruno, JAO ;

Barron, THK ;

Allan, NL .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (04) :R217-R252

[2] NEGATIVE THERMAL-EXPANSION OF DIAMOND AND ZINCBLENDE SEMICONDUCTORS [J].

BIERNACKI, S ;

SCHEFFLER, M .

PHYSICAL REVIEW LETTERS, 1989, 63 (03) :290-293

[3] SECOND-ORDER PHASE TRANSITIONS CHARACTERIZED BY A DEFORMATION OF UNIT CELL [J].

BOCCARA, N .

ANNALS OF PHYSICS, 1968, 47 (01) :40-&

[4] Negative thermal expansion materials [J].

Evans, JSO .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1999, (19) :3317-3326

[5] Negative thermal expansion in ZrW2O8 and HfW2O8 [J].

Evans, JSO ;

Mary, TA ;

Vogt, T ;

Subramanian, MA ;

Sleight, AW .

CHEMISTRY OF MATERIALS, 1996, 8 (12) :2809-2823

[6] THERMAL EXPANSION OF SOME CRYSTALS WITH THE DIAMOND STRUCTURE [J].

GIBBONS, DF .

PHYSICAL REVIEW, 1958, 112 (01) :136-140

[7] Negative thermal expansion from 0.3 to 1050 Kelvin in ZrW2O8 [J].

Mary, TA ;

Evans, JSO ;

Vogt, T ;

Sleight, AW .

SCIENCE, 1996, 272 (5258) :90-92

[8] SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].

PERDEW, JP ;

ZUNGER, A .

PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079

[9] A PROFILE REFINEMENT METHOD FOR NUCLEAR AND MAGNETIC STRUCTURES [J].

RIETVELD, HM .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1969, 2 :65-&

[10] ELASTIC PROPERTIES OF ZNF2 BETWEEN 4.2 AND 300-K [J].

RIMAI, DS .

PHYSICAL REVIEW B, 1977, 16 (09) :4069-4077