The REME phases - II. What's possible?

被引:50
作者
Bojin, MD [1 ]
Hoffmann, R [1 ]
机构
[1] Cornell Univ, Dept Chem & Biol Chem, Ithaca, NY 14853 USA
关键词
D O I
10.1002/hlca.200390141
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In the second contribution on the REM E phases, we enumerate the distinct networks resulting from the stacking in an eclipsed fashion of graphitic and puckered layers. Specifically, we derive all the distinct hypothetical lattices for up to N=7 layers per unit cell for planar (graphitic) sheets, and up to N= 10 for slightly puckered layers. For the networks with slightly puckered layers, there can be only an even number of layers/unit cell, N. Additionally, we formulate an empirical rule for network stability: the structure should have either a mirror plane or a twin operation (mirror plane, followed by a color change) bisecting it half-way up the stacking axis. Using these simple principles, from the original multitude of 2(N-1) structures for a given N, we are able to significantly narrow down the number of potential combinations. Thus, for N = 2, we find two nets, for N = 4, one, for N = 6, two, for N = 8, there are no such viable arrangements, and for N = 10, we exclude all but two distinct lattices. We sketch further guidelines to continue the enumeration for higher Ns. We also propose an 'overlapping' Aufbau, by which more-complex structures are derived from the smaller, basic ones. In the last part, we analyze the eclipsed stacking of diamond-type layers; the resulting networks are analogous (in sequencing) to those determined for slightly puckered sheets. The networks formed from staggered diamondtype layers are briefly discussed in the context of the related SiC polytypes.
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页码:1683 / 1708
页数:26
相关论文
共 32 条
[1]  
ADDAMIANO A, 1974, SILICON CARBIDE 1973, P179
[2]  
ARTEMI C, 1987, MATH CHEM, V22, P33
[3]  
BALABAN AT, 1988, MAKROMOL CHEM, V189, P863
[4]  
BALABAN AT, 1987, MATH CHEM, V22, P3
[5]   A DIRECT METHOD FOR DETERMINATION OF POLYTYPE STRUCTURE .1. THEORETICAL BASIS [J].
DORNBERG.K ;
FARKASJA.M .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :24-&
[6]  
GLADYSHEVSKII EI, 1967, UKRAINSKII FIZICHNII, V0012
[7]  
HAEUSSERMANN U, 1994, ANGEW CHEM INT EDIT, V33, P2069
[8]  
HAEUSSERMANN U, 1994, ANGEW CHEM, V106, P2147
[9]   Secondary Au-Au and Sn-Sn interactions in the superstructure of YbAuSn-missing link in the series of KHg2 superstructures [J].
Hoffmann, RD ;
Pöttgen, R ;
Kussmann, D ;
Müllmann, R ;
Mosel, BD .
CHEMISTRY OF MATERIALS, 2001, 13 (11) :4019-4025
[10]  
KASPI H, COMMUNICATION