The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)2

被引：10

作者：

Carlegrim, Elin ^{[1
]}

Kanciurzewska, Anna ^{[1
]}

de Jong, Michel P. ^{[2
]}

Tengstedt, Carl ^{[1
]}

Fahlman, Mats ^{[1
]}

机构：

[1] Linkoping Univ, Dept Sci & Technol ITN, S-60174 Norrkoping, Sweden

[2] Linkoping Univ, Dept Phys Chem & Biol IFM, S-58183 Linkoping, Sweden

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 452卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2007.12.049

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The unoccupied electronic structure of the organic-based magnet V(TCNE)(x) (TCNE = tetracyanoethylene, x similar to 2) has been studied with near edge X-ray absorption fine structure (NEXAFS) and with photoelectron spectroscopy (PES). By studying V(TCNE), upon sodium-doping, the electron-accepting state, i.e., the lowest unoccupied molecular orbital (LUMO) of V(TCNE)(x) was shown mainly to be localized on (TCNE)(-)-units in contrast to the hole-accepting state, i.e., the highest occupied molecular orbital (HOMO), which previously was assigned primarily to be V(3d)-derived. This study also showed that there are trap states for electron transport located below the (TCNE)(2-) level, likely leading to decreased electron mobility. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：173 / 177

页数：5

共 50 条

[1] A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)2
Tchougreeff, Anderi L.
Dronskowski, Richard
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (13) : 2220 - 2233
[2] Permanent Porosity in the Room-Temperature Magnet and Magnonic Material V(TCNE)2
Park, Jesse G.
Jaramillo, David E.
Shi, Yueguang
Jiang, Henry Z. H.
Yusuf, Huma
Furukawa, Hiroyasu
Bloch, Eric D.
Cormode, Donley S.
Miller, Joel S.
Harris, T. David
Johnston-Halperin, Ezekiel
Flatte, Michael E.
Long, Jeffrey R.
[J]. ACS CENTRAL SCIENCE, 2023, 9 (04) : 777 - 786
[3] Pressure dependence of the dielectric loss in semi-conducting polypyrrole aged at room temperature
Sakellis, I.
Papathanassiou, A. N.
Grammatikakis, J.
[J]. SYNTHETIC METALS, 2010, 160 (19-20) : 2228 - 2230
[4] Disorder, exchange and magnetic anisotropy in the room-temperature molecular magnet V[TCNE]x - A theoretical study
Cimpoesu, Fanica
Frecus, Bogdan
Oprea, Corneliu I.
Panait, Petre
Girtu, Mihai A.
[J]. COMPUTATIONAL MATERIALS SCIENCE, 2014, 91 : 320 - 328
[5] Solvent enhancement of the magnetic ordering temperature (Tc) of the room temperature V[TCNE]x • S (S = solvent, TCNE = tetracyanoethylene; x ∼ 2) magnet
Thorum, Matthew S.
Pokhodnya, Konstantin I.
Miller, Joel S.
[J]. POLYHEDRON, 2006, 25 (09) : 1927 - 1930
[6] ELECTRICAL CONDUCTIVITY OF SOME ORGANIC SEMI-CONDUCTING SUBSTANCES IN LIQUID STATE AND ROOM TEMPERATURE
NICOLAU, A
MARINESC.A
PASCU, E
[J]. REVUE ROUMAINE DE PHYSIQUE, 1968, 13 (09): : 799 - &
[7] Oliver Kahn Lecture: Composition and structure of the V[TCNE]x (TCNE = tetracyanoethylene) room-temperature, organic-based magnet - A personal perspective
Miller, Joel S.
[J]. POLYHEDRON, 2009, 28 (9-10) : 1596 - 1605
[8] ENERGY RELEASE OF MULTIPLYING SEMI-CONDUCTING DETECTORS FOR LIGHT GAMMA-SPECTROSCOPY AT ROOM TEMPERATURE
RUGE, I
BERG, G
HEUBERGER, A
[J]. NUCLEAR INSTRUMENTS & METHODS, 1970, 84 (01): : 55 - +
[9] Crystal and Electronic Structure of the Room Temperature Organometallic Ferrimagnet V(TCNE)2. Analysis of Numerical DoS and Magnetic Properties as Related to Orbital and Spin-Hamiltonian Models
Tchougreeff, Andrei L.
Dronskowski, Richard
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (11) : 2490 - 2509
[10] Theoretical Calculations of Structure and Exchange Coupling of a Room-Temperature Molecular Magnet
Cimpoesu, Fanica
Frecus, Bogdan
Oprea, Corneliu I.
Girtu, Mihai A.
[J]. 7TH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION VOLS 1 AND 2, 2009, 1203 : 1192 - +

← 1 2 3 4 5 →