Interatomic interactions and electronic structure of NbSe2 and Nb1.25Se2 nanotubes

被引：3

作者：

Enyashin, AN ^{[1
]}

Ivanovskaya, VV ^{[1
]}

Shein, IR ^{[1
]}

Makurin, YN ^{[1
]}

Medvedeva, NI ^{[1
]}

Sofronov, AA ^{[1
]}

Ivanovskii, AL ^{[1
]}

机构：

[1] Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2004年 / 45卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

nanotubes; niobium diselenide; modeling; electronic structure; chemical bond;

D O I：

10.1007/s10947-005-0028-3

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Atomic models of achiral NbSe2 nanotubes are suggested. Band structure calculations have been performed to investigate the electronic structure and determine the parameters of interatomic interactions. The distribution of the density of states and pair bond occupancies of NbSe2 nanotubes are analyzed in relation to the type of the atomic configuration and the tube diameter; the results are compared with the band structure of the 2H-NbSe2 crystal. Calculations have been carried out on hypothetical "superstoichiometric" nanotubes with a formal composition Nb1.25Se2 as possible quasi-one-dimensional nanoforms of autointercalated niobium diselenide.

引用

页码：547 / 556

页数：10

共 42 条

[1] Heat conduction in the vortex state of NbSe2:: Evidence for multiband superconductivity -: art. no. 117003 [J].

Boaknin, E ;

Tanatar, MA ;

Paglione, J ;

Hawthorn, D ;

Ronning, F ;

Hill, RW ;

Sutherland, M ;

Taillefer, L ;

Sonier, J ;

Hayden, SM ;

Brill, JW .

PHYSICAL REVIEW LETTERS, 2003, 90 (11) :4

[2]

BRANDT J, 2001, J ELECTRON SPECTROSC, V114, P551

[3] QUANTUM OSCILLATIONS IN THE MIXED-STATE OF THE TYPE-II SUPERCONDUCTOR 2H-NBSE2 [J].

CORCORAN, R ;

MEESON, P ;

ONUKI, Y ;

PROBST, PA ;

SPRINGFORD, M ;

TAKITA, K ;

HARIMA, H ;

GUO, GY ;

GYORFFY, BL .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1994, 6 (24) :4479-4492

[4]

Dresselhaus M. S., 1996, SCI FULLERENCE CARBO

[5] Effect of electronic irradiation in the production of NbSe2 nanotubes [J].

Galván, DH ;

Kim, JH ;

Maple, MB ;

Adem, E .

FULLERENE SCIENCE AND TECHNOLOGY, 2001, 9 (02) :225-232

[6] Formation of NbSe2 nanotubes by electron irradiation [J].

Galvan, DH ;

Kim, JH ;

Maple, MB ;

Avalos-Borja, M ;

Adem, E .

FULLERENE SCIENCE AND TECHNOLOGY, 2000, 8 (03) :143-151

[7]

Hacohen YR, 2002, ADV MATER, V14, P1075

[8] Cage structures and nanotubes of NiCl2 [J].

Hacohen, YR ;

Grunbaum, E ;

Tenne, R ;

Sloan, J ;

Hutchison, JL .

NATURE, 1998, 395 (6700) :336-337

[9] STAGING AND INTERLAYER INTERACTION IN THE MISFIT-LAYER COMPOUNDS (RS)(N)NBS2 (R=LA,CE, N=0.6, 1.2) STUDIED BY RAMAN AND INFRARED SPECTROSCOPIES [J].

HANGYO, M ;

KISODA, K ;

NISHIO, T ;

NAKASHIMA, S ;

TERASHIMA, T ;

KOJIMA, N .

PHYSICAL REVIEW B, 1994, 50 (16) :12033-12043

[10]

Harris P.J.F., 1999, Carbon Nanotubes and Related Structures, DOI DOI 10.1017/CBO9780511605819

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