ELECTRON-DENSITY OF STATES IN STOICHIOMETRIC PDH BY THE RECURSION METHOD

被引：4

作者：

CUBIOTTI, G

GINATEMPO, B

机构：

[1] CNR,NAZL STRUTTURA MAT LAB,MESSINA,ITALY

[2] COMITATO REG RIC NUCL STRUTTURA MAT,MESSINA,ITALY

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 14期

关键词：

D O I：

10.1088/0022-3719/12/14/002

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The recursion method is applied to the computation of the electron density of states of both pure Pd and stoichiometric PdH. The results show that a low-lying band, induced in PdH by the presence of H, is not separated from the main band and that change transfer occurs from H to Pd, resulting in a filling of the d band hole and of s-p states.

引用

页码：L551 / L554

页数：4

共 10 条

[1] PHOTOEMISSION STUDIES OF ENERGY LEVELS IN PALLADIUM-HYDROGEN SYSTEM [J].

EASTMAN, DE ;

CASHION, JK ;

SWITENDICK, AC .

PHYSICAL REVIEW LETTERS, 1971, 27 (01) :35-+

[2] ELECTRONIC STATES OF SUBSTOICHIOMETRIC COMPOUNDS AND APPLICATION TO PALLADIUM HYDRIDE [J].

FAULKNER, JS .

PHYSICAL REVIEW B, 1976, 13 (06) :2391-2397

[3] TRANSITION-METAL HYDRIDES - ELECTRONIC-STRUCTURE AND HEATS OF FORMATION [J].

GELATT, CD ;

EHRENREICH, H ;

WEISS, JA .

PHYSICAL REVIEW B, 1978, 17 (04) :1940-1957

[4] ELECTRONIC-STRUCTURE AND PROTON SPIN-LATTICE RELAXATION IN PDH [J].

GUPTA, M ;

FREEMAN, AJ .

PHYSICAL REVIEW B, 1978, 17 (08) :3029-3039

[5] ELECTRONIC-STRUCTURE BASED ON LOCAL ATOMIC ENVIRONMENT FOR TIGHT-BINDING BANDS [J].

HAYDOCK, R ;

HEINE, V ;

KELLY, MJ .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (20) :2845-&

[6] SURFACE DENSITIES OF STATES IN TIGHT-BINDING APPROXIMATION [J].

HAYDOCK, R ;

KELLY, MJ .

SURFACE SCIENCE, 1973, 38 (01) :139-148

[7] BAND-STRUCTURE AND SUPERCONDUCTIVITY OF PDDX AND PDHX [J].

PAPACONSTANTOPOULOS, DA ;

KLEIN, BM ;

ECONOMOU, EN ;

BOYER, LL .

PHYSICAL REVIEW B, 1978, 17 (01) :141-150

[8] COHERENT-POTENTIAL-APPROXIMATION CALCULATIONS FOR PDHX [J].

PAPACONSTANTOPOULOS, DA ;

KLEIN, BM ;

FAULKNER, JS ;

BOYER, LL .

PHYSICAL REVIEW B, 1978, 18 (06) :2784-2791

[9] SIMPLIFIED LCAO METHOD FOR THE PERIODIC POTENTIAL PROBLEM [J].

SLATER, JC ;

KOSTER, GF .

PHYSICAL REVIEW, 1954, 94 (06) :1498-1524

[10]

SWITENDICK AC, 1972, BERICH BUNSEN GESELL, V76, P535

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