Reconciliation of ab initio theory and experimental elastic properties of Al2O3

被引：69

作者：

Gladden, JR ^{[1
]}

So, JH

Maynard, JD

Saxe, PW

Le Page, Y

机构：

[1] Penn State Univ, Dept Phys, University Pk, PA 16802 USA

[2] Natl Res Council Canada, ICPET, Ottawa, ON K1A 0R6, Canada

来源：

APPLIED PHYSICS LETTERS | 2004年 / 85卷 / 03期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.1773924

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Ab initio calculations of the basic properties of solids have advanced significantly, and it is now possible to simply access a crystal structure database, and from the given constituent atoms and their positions, calculate reasonably accurate values for elastic constants and thermomechanical properties that may be derived from them. However, progress has been impeded by a unique discrepancy involving the sign of one of the elastic constants of an important material: Al2O3. In this letter, this longstanding discrepancy is resolved with experimental measurements. (C) 2004 American Institute of Physics.

引用

页码：392 / 394

页数：3

共 15 条

[1]

BRAINERD JG, 1949, P IRE, V37, P1

[2]

BUERGER MJ, 1952, INT TABLES CRYSTALLO, V1, P65507

[3] CUBE-RESONANCE METHOD TO DETERMINE ELASTIC CONSTANTS OF SOLIDS [J].

DEMAREST, HH .

JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA, 1971, 49 (03) :768-&

[4] ELASTIC-CONSTANTS OF CORUNDUM UP TO 1825-K [J].

GOTO, T ;

ANDERSON, OL ;

OHNO, I ;

YAMAMOTO, S .

JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH AND PLANETS, 1989, 94 (B6) :7588-7602

[5]

Le Page Y, 2002, PHYS STATUS SOLIDI B, V229, P1155, DOI 10.1002/1521-3951(200202)229:3<1155::AID-PSSB1155>3.0.CO

[6]

2-O

[7] Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress -: art. no. 104104 [J].

Le Page, Y ;

Saxe, P .

PHYSICAL REVIEW B, 2002, 65 (10) :1-14

[8] Ab initio vs literature stiffness values for Ga: a caveat about crystal settings [J].

Le Page, Y ;

Saxe, P .

PHYSICA B-CONDENSED MATTER, 2001, 307 (1-4) :191-196

[9] Resonant ultrasound spectroscopy [J].

Maynard, J .

PHYSICS TODAY, 1996, 49 (01) :26-31

[10] THE USE OF PIEZOELECTRIC FILM AND ULTRASOUND RESONANCE TO DETERMINE THE COMPLETE ELASTIC TENSOR IN ONE MEASUREMENT [J].

MAYNARD, JD .

JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA, 1992, 91 (03) :1754-1762

← 1 2 →