ABINITIO STUDY OF THE CU PD ONE-DIMENSIONAL LONG PERIOD SUPERSTRUCTURE PHASE-DIAGRAM

被引：36

作者：

CEDER, G

DEFONTAINE, D

DREYSSE, H

NICHOLSON, DM

STOCKS, GM

GYORFFY, BL

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA

[2] UNIV NANCY 1, PHYS SOLIDE LAB, F-54506 VANDOEUVRE LES NANCY, FRANCE

[3] OAK RIDGE NATL LAB, OAK RIDGE, TN 37831 USA

[4] UNIV BRISTOL, HH WILLS PHYS LAB, BRISTOL BS8 1TL, AVON, ENGLAND

来源：

ACTA METALLURGICA ET MATERIALIA | 1990年 / 38卷 / 11期

关键词：

D O I：

10.1016/0956-7151(90)90097-Z

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The f.c.c. superstructure phase diagram for CuPd is calculated by means of isotropic effective interactions derived from an ab initio KKR-CPA electronic structure calculation. We prove the existence of a region in which one-dimensional long period superstructures are stable. This region is composed of several single phase fields in which the modulation period is constant and in close agreement with results from High Resolution Electron Microscopy. The change from wavy antiphase boundaries at low Pd concentration to sharp antiphase boundaries at high Pd concentration is related to a significant change of the interactions with Pd concentration. The role of the Fermi surface and the applicability of the ANNNI model are clarified. © 1990.

引用

页码：2299 / 2308

页数：10

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