Density of states and energetic correlation in disordered molecular systems due to induced dipoles

被引:13
作者
Freire, Jose A. [1 ]
Tonezer, Camila [1 ]
机构
[1] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil
关键词
electric moments; electronic density of states; molecular moments; organic compounds; DOPED POLYMERS; CHARGE-TRANSPORT; DETAILED REFINEMENT; CONJUGATED POLYMERS; MOBILITY; SIMULATION; CRYSTAL; MOMENTS; SOLIDS; MODEL;
D O I
10.1063/1.3090482
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
We have considered two models for a system of disordered organic molecules: one based on a regular lattice with Gaussian site displacements and another based on a hard sphere distribution. The site energies were given by a charge-induced dipole interaction (the polarization energy). We obtained the density of states of both models and observed that it changes from a Gaussian to the density of states of a uniform site distribution, whose form was obtained analytically, depending on the degree of disorder in one model or the packing fraction in the other model. The site energy distribution is short-ranged correlated in both models since nearby molecules polarize basically the same disordered environment.
引用
收藏
页数:7
相关论文
共 25 条
[1]  
Abramowitz M., 1972, Handbook of Mathematical Functions
[2]   Analytic model of carrier mobility in doped disordered organic semiconductors -: art. no. 235202 [J].
Arkhipov, VI ;
Emelianova, EV ;
Heremans, P ;
Bässler, H .
PHYSICAL REVIEW B, 2005, 72 (23)
[3]   CHARGE TRANSPORT IN DISORDERED ORGANIC PHOTOCONDUCTORS - A MONTE-CARLO SIMULATION STUDY [J].
BASSLER, H .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1993, 175 (01) :15-56
[4]  
BASSLER H, 1994, Z PHYS CHEM, V184, P233
[5]   LOCALIZED STATES AND ELECTRONIC TRANSPORT IN SINGLE COMPONENT ORGANIC-SOLIDS WITH DIAGONAL DISORDER [J].
BASSLER, H .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1981, 107 (01) :9-54
[6]   A DETAILED REFINEMENT OF THE CRYSTAL AND MOLECULAR STRUCTURE OF NAPHTHALENE [J].
CRUICKSHANK, DWJ .
ACTA CRYSTALLOGRAPHICA, 1957, 10 (08) :504-508
[7]   A DETAILED REFINEMENT OF THE CRYSTAL AND MOLECULAR STRUCTURE OF ANTHRACENE [J].
CRUICKSHANK, DWJ .
ACTA CRYSTALLOGRAPHICA, 1956, 9 (10) :915-923
[8]   AN ASSESSMENT OF THE ROLE OF DIPOLES ON THE DENSITY-OF-STATES FUNCTION OF DISORDERED MOLECULAR-SOLIDS [J].
DIECKMANN, A ;
BASSLER, H ;
BORSENBERGER, PM .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (10) :8136-8141
[9]   Charge-dipole model for the universal field dependence of mobilities in molecularly doped polymers [J].
Dunlap, DH ;
Parris, PE ;
Kenkre, VM .
PHYSICAL REVIEW LETTERS, 1996, 77 (03) :542-545
[10]   HIGH-FIELD HOPPING MOBILITY IN MOLECULAR-SYSTEMS WITH SPATIALLY CORRELATED ENERGETIC DISORDER [J].
GARTSTEIN, YN ;
CONWELL, EM .
CHEMICAL PHYSICS LETTERS, 1995, 245 (4-5) :351-358