Compton profiles of Li in the GW approximation

被引：26

作者：

Kubo, Y

机构：

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1996年 / 65卷 / 01期

关键词：

Compton profile; electron momentum density; lithium; band theory; local-density approximation; FLAPW method; CW approximation; electron correlation; many-body effect;

D O I：

10.1143/JPSJ.65.16

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The Compton profile of Li is computed by using the occupation number obtained from a first-principles calculation of the spectral function within the GW approximation (GWA). The eigenstates and eigenenergies generated by the full-potential linearized augmented-plane-wave method in the local-density approximation are utilized in the GWA calculation. The dielectric matrix needed to form the screened potential W is computed within the random-phase approximation. The computed Compton profiles are in very good agreement with recent experimental results measured with a momentum resolution of 0.12 atomic units.

引用

页码：16 / 18

页数：3

共 14 条

[1] SELF-ENERGY OF FERROMAGNETIC NICKEL IN THE GW APPROXIMATION [J].

ARYASETIAWAN, F .

PHYSICAL REVIEW B, 1992, 46 (20) :13051-13064

[2] THE EFFECT OF EXCHANGE AND CORRELATION ON THE AGREEMENT BETWEEN APW AND LCAO COMPTON PROFILES AND EXPERIMENT [J].

CARDWELL, DA ;

COOPER, MJ .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (47) :9357-9367

[3] SELF-ENERGY CORRECTION FOR THE ENERGY-BANDS OF SILICON BY THE FULL-POTENTIAL LINEARIZED AUGMENTED-PLANE-WAVE METHOD - EFFECT OF THE VALENCE-BAND POLARIZATION [J].

HAMADA, N ;

HWANG, M ;

FREEMAN, AJ .

PHYSICAL REVIEW B, 1990, 41 (06) :3620-3626

[4] NEW METHOD FOR CALCULATING 1-PARTICLE GREENS FUNCTION WITH APPLICATION TO ELECTRON-GAS PROBLEM [J].

HEDIN, L .

PHYSICAL REVIEW, 1965, 139 (3A) :A796-+

[5] ELECTRON CORRELATION IN SEMICONDUCTORS AND INSULATORS - BAND-GAPS AND QUASI-PARTICLE ENERGIES [J].

HYBERTSEN, MS ;

LOUIE, SG .

PHYSICAL REVIEW B, 1986, 34 (08) :5390-5413

[6] MOMENTUM DENSITY AND COMPTON PROFILE OF INHOMOGENEOUS INTERACTING ELECTRONIC SYSTEM .1. FORMALISM [J].

LAM, L ;

PLATZMAN, PM .

PHYSICAL REVIEW B, 1974, 9 (12) :5122-5127

[7] CALCULATED MOMENTUM DISTRIBUTIONS AND COMPTON PROFILES OF INTERACTING CONDUCTION ELECTRONS IN LITHIUM AND SODIUM [J].

LUNDQVIST, BI ;

LYDEN, C .

PHYSICAL REVIEW B-SOLID STATE, 1971, 4 (10) :3360-+

[8] SINGLE-PARTICLE SPECTRUM OF DEGENERATE ELECTRON GAS .I. STRUCTURE OF SPECTRAL WEIGHT FUNCTION [J].

LUNDQVIST, BI .

PHYSIK DER KONDENSITERTEN MATERIE, 1967, 6 (03) :193-+

[9]

Sakurai Y., 1992, Materials Science Forum, V105-110, P803, DOI 10.4028/www.scientific.net/MSF.105-110.803

[10] HIGH-RESOLUTION COMPTON-SCATTERING STUDY OF LI - ASPHERICITY OF THE FERMI-SURFACE AND ELECTRON CORRELATION-EFFECTS [J].

SAKURAI, Y ;

TANAKA, Y ;

BANSIL, A ;

KAPRZYK, S ;

STEWART, AT ;

NAGASHIMA, Y ;

HYODO, T ;

NANAO, S ;

KAWATA, H ;

SHIOTANI, N .

PHYSICAL REVIEW LETTERS, 1995, 74 (12) :2252-2255

← 1 2 →