Trends on 3d transition metal impurities in diamond

被引：5

作者：

Assali, L. V. C. ^{[1
]}

Machado, W. V. M. ^{[1
]}

Justo, J. F. ^{[2
]}

机构：

[1] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil

[2] Univ Sao Paulo, Escola Politecn, BR-05315970 Sao Paulo, Brazil

来源：

PHYSICA B-CONDENSED MATTER | 2009年 / 404卷 / 23-24期

关键词：

Synthetic diamond; Transition metal; Ab initio methods; CENTERS; NICKEL; SITE;

D O I：

10.1016/j.physb.2009.08.109

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We carried out a first principles investigation on the electronic properties and chemical trends of 3d transition metal related impurities in diamond. In terms of formation energy, the interstitial site is considerably more unfavorable than the substitutional or divacancy ones. Going from Ti to Ni, the 3d-related energy levels in the gap become deeper toward the valence band in all three sites. However, in the divacancy one, those levels cross with the divacancy-related ones, such that the electronic property of the center depends on the character of the highest occupied level. (C) 2009 Elsevier B.A. All rights reserved.

引用

页码：4515 / 4517

页数：3

共 50 条

[41] ELECTRONIC-STRUCTURE OF TRANSITION-ATOM IMPURITIES IN SEMICONDUCTORS - SUBSTITUTIONAL 3D IMPURITIES IN SILICON
ZUNGER, A
LINDEFELT, U
PHYSICAL REVIEW B, 1983, 27 (02): : 1191 - 1227
[42] Magnetism in 3d transition metal doped SnO
Albar, A.
Schwingenschlogl, U.
JOURNAL OF MATERIALS CHEMISTRY C, 2016, 4 (38) : 8947 - 8952
[43] Excited states of the 3d transition metal monoxides
Dai, B
Deng, KM
Yang, JL
Zhu, QS
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (21): : 9608 - 9613
[44] Orbital Hanle Magnetoresistance in a 3d Transition Metal
Sala, Giacomo
Wang, Hanchen
Legrand, William
Gambardella, Pietro
PHYSICAL REVIEW LETTERS, 2023, 131 (15)
[45] CONDUCTIVITY TYPE OF 3D TRANSITION METAL SILICIDES
NIKITIN, EN
TARASOV, VI
SOVIET PHYSICS CRYSTALLOGRAPHY, USSR, 1971, 16 (02): : 305 - &
[46] Chemical trends in electronic properties of arsenic vacancy 3d transition metal pairs in gallium arsenide
Franca, EJ
Assali, LVC
DEFECTS IN SEMICONDUCTORS - ICDS-19, PTS 1-3, 1997, 258-2 : 893 - 898
[47] EVIDENCE FOR THE METAL-INSULATOR-TRANSITION IN A PURE 3D METAL
NEDELLEC, P
TRAVERSE, A
DUMOULIN, L
BERNAS, H
AMARAL, L
DEUTSCHER, G
EUROPHYSICS LETTERS, 1986, 2 (06): : 465 - 470
[48] 1ST-PRINCIPLES CALCULATIONS OF THE ELECTRONIC-PROPERTIES OF 3D TRANSITION-METAL IMPURITIES IN AL
SINGH, PP
JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (19) : 3285 - 3300
[49] Behaviour of manganese in InP compared with other impurities of 3d transition metals
Zdansky, K
Hlidek, P
Pekarek, L
PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 2003, 195 (01): : 74 - 80
[50] ELECTRONIC-STRUCTURE OF SUBSTITUTIONAL 3D TRANSITION ATOM IMPURITIES IN SILICON
ZUNGER, A
LINDEFELT, U
PHYSICA B & C, 1983, 117 (MAR): : 185 - 187

← 1 2 3 4 5 →