DEFECT ENERGETICS IN ALUMINUM

被引：29

作者：

DENTENEER, PJH ^{[1
]}

SOLER, JM ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID,DEPT FIS MAT CONDENSADA C-3,E-28049 MADRID,SPAIN

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 45期

关键词：

D O I：

10.1088/0953-8984/3/45/003

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Formation energies of the vacancy and self-interstitial in Al, as well as energies of intrinsic, extrinsic and twin-boundary stacking faults are calculated from first principles. The electronic structure and forces on the atoms are calculated in the framework of the augmented plane wave method using the algorithm proposed by Williams and Soler.

引用

页码：8777 / 8792

页数：16

共 47 条

[11] MICROSCOPIC STRUCTURE OF THE HYDROGEN-PHOSPHORUS COMPLEX IN CRYSTALLINE SILICON [J].

DENTENEER, PJH ;

VAN DE WALLE, CG ;

PANTELIDES, ST .

PHYSICAL REVIEW B, 1990, 41 (06) :3885-3888

[12] ENERGETICS OF POINT AND PLANAR DEFECTS IN ALUMINUM FROM 1ST-PRINCIPLES CALCULATIONS [J].

DENTENEER, PJH ;

SOLER, JM .

SOLID STATE COMMUNICATIONS, 1991, 78 (10) :857-861

[13]

DENTENEER PJH, 1987, J PHYS C SOLID STATE, V20, pL882

[14]

DENTENEER PJH, 1989, UNPUB APW CALCULATIO

[15] CONFIGURATION OF ATOMIC DEFECTS AS DETERMINED FROM SCATTERING STUDIES [J].

EHRHART, P .

JOURNAL OF NUCLEAR MATERIALS, 1978, 69-7 (1-2) :200-214

[16] EFFECT OF PRESSURE ON QUENCHED-IN ELECTRICAL RESISTANCE IN GOLD AND ALUMINUM [J].

EMRICK, RM ;

MCARDLE, PB .

PHYSICAL REVIEW, 1969, 188 (03) :1156-&

[17] LATTICE-RELAXATION NEAR ISOLATED ADSORBATES [J].

FEIBELMAN, PJ .

PHYSICAL REVIEW LETTERS, 1989, 63 (22) :2488-2491

[18] Forces in molecules [J].

Feynman, RP .

PHYSICAL REVIEW, 1939, 56 (04) :340-343

[19] MEASUREMENTS OF VACANCY FORMATION ENTHALPY IN ALUMINUM USING POSITRON-ANNIHILATION SPECTROSCOPY [J].

FLUSS, MJ ;

SMEDSKJAER, LC ;

CHASON, MK ;

LEGNINI, DG ;

SIEGEL, RW .

PHYSICAL REVIEW B, 1978, 17 (09) :3444-3455

[20] 1ST-PRINCIPLES CALCULATION OF THE EQUILIBRIUM GROUND-STATE PROPERTIES OF TRANSITION-METALS - APPLICATIONS TO NB AND MO [J].

FU, CL ;

HO, KM .

PHYSICAL REVIEW B, 1983, 28 (10) :5480-5486

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