Metal impurities in crystallographic voids of beta-rhombohedral boron lattice: Binding energies and electron levels

被引：3

作者：

Chkhartishvili, Levan ^{[1
,2
]}

Murusidze, Ivane ^{[3
]}

Darchiashvili, Maguli ^{[2
]}

Tsagareishvili, Otar ^{[2
]}

Gabunia, Domenti ^{[2
]}

机构：

[1] Georgian Tech Univ, Dept Phys, GE-0175 Tbilisi, Georgia

[2] F Tavadze Inst Met & Mat Sci, Lab Boron Borides & Related Cpds, GE-0160 Tbilisi, Georgia

[3] Ilia State Univ, Inst Appl Phys, GE-0162 Tbilisi, Georgia

来源：

SOLID STATE SCIENCES | 2012年 / 14卷 / 11-12期

关键词：

Beta-rhombohedral boron; Crystallographic voids; Metal impurities; Binding energies; Electron energy levels; MAGNETIC-SUSCEPTIBILITY; SOLID-SOLUTION; RICH SOLIDS; CRYSTAL; DEFECTS; LI; FE; CONDUCTIVITY; SPECTROSCOPY; PARAMETER;

D O I：

10.1016/j.solidstatesciences.2012.06.009

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Applying quasi-classical approach, the binding energies and electron levels of metal impurities (Li, Mg, Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Hf, Ta, and Re) introduced into crystallographic voids of types A, D and E in the beta-rhombohedral boron lattice are calculated. Binding energies are estimated as similar to 1 eV -60 eV per bond. The most of the obtained metal-boron bond lengths are very close to the mean radii of voids in the undoped crystal. Relatively light impurities (from Li to Cu) are found to form donor electron states directly inside the conduction band, i.e., they cause metallization of the material being introduced at sufficiently high concentrations. Heavy impurities (from Zr to Re) form shallow or deep donor levels inside the band gap or even valence band depending on dopants and voids of accommodation. (C) 2012 Elsevier Masson SAS. All rights reserved.

引用

页码：1673 / 1682

页数：10