Binary alloys of Ge and Te: Order, voids, and the eutectic composition

被引：102

作者：

Akola, J. ^{[1
,2
]}

Jones, R. O. ^{[1
]}

机构：

[1] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany

[2] Univ Jyvaskyla, Nanosci Ctr, Dept Phys, FI-40014 Jyvaskyla, Finland

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 100卷 / 20期

关键词：

D O I：

10.1103/PhysRevLett.100.205502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The liquid and amorphous structures of Ge(0.15)Te(0.85) and GeTe alloys are characterized using combined density functional/molecular dynamics simulations. Te is threefold coordinated, in contrast with predictions of the "8-N rule," and Ge atoms (fourfold coordinated) show octahedral and tetrahedral bonding angles. Cubic local environment occurs in both materials, and GeTe shows a pronounced alternation of atomic types. Tetrahedral Ge coordination is more common in the eutectic Ge(0.15)Te(0.85), which comprises corner- and edge-sharing GeTe(4) units surrounded by Te. There is no Te segregation, and the material resembles neither GeTe nor Te. The ubiquitous cavities (voids) have been overlooked in Ge(0.15)Te(0.85), where they comprise over 25% of the volume.

引用

页数：4

共 25 条

[1] Structural phase transitions on the nanoscale:: The crucial pattern in the phase-change materials Ge2Sb2Te5 and GeTe [J].

Akola, J. ;

Jones, R. O. .

PHYSICAL REVIEW B, 2007, 76 (23)

[2] Raman scattering study of the a-GeTe structure and possible mechanism for the amorphous to crystal transition [J].

Andrikopoulos, KS ;

Yannopoulos, SN ;

Voyiatzis, GA ;

Kolobov, AV ;

Ribes, M ;

Tominaga, J .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (03) :965-979

[3] Experimental investigation of the waterlike density anomaly in the liquid Ge15Te85 eutectic alloy -: art. no. 104202 [J].

Bergman, C ;

Bichara, C ;

Gaspard, JP ;

Tsuchiya, Y .

PHYSICAL REVIEW B, 2003, 67 (10)

[4]

Betts F., 1970, Journal of Non-Crystalline Solids, V4, P554, DOI 10.1016/0022-3093(70)90093-1

[5] Temperature-induced density anomaly in Te-rich liquid germanium tellurides:: p versus sp3 bonding? -: art. no. 267801 [J].

Bichara, C ;

Johnson, M ;

Raty, JY .

PHYSICAL REVIEW LETTERS, 2005, 95 (26)

[6] COMPOUND MATERIALS FOR REVERSIBLE, PHASE-CHANGE OPTICAL-DATA STORAGE [J].

CHEN, M ;

RUBIN, KA ;

BARTON, RW .

APPLIED PHYSICS LETTERS, 1986, 49 (09) :502-504

[7] Reverse Monte Carlo analysis of the local order in liquid Ge0.15Te0.85 alloys combining neutron scattering and x-ray absorption spectroscopy -: art. no. 174209 [J].

Coulet, MV ;

Testemale, D ;

Hazemann, JL ;

Gaspard, JP ;

Bichara, C .

PHYSICAL REVIEW B, 2005, 72 (17)

[8]

*CPMD, V311 CPMD

[9] Electronic structure of intrinsic defects in crystalline germanium telluride [J].

Edwards, AH ;

Pineda, AC ;

Schultz, PA ;

Martin, MG ;

Thompson, AP ;

Hjalmarson, HP ;

Umrigar, CJ .

PHYSICAL REVIEW B, 2006, 73 (04)

[10]

*EPAPS, EPRLTAO100043821 EPA

← 1 2 3 →