THEORETICAL POSSIBILITY OF STAGE CORRUGATION IN SI AND GE ANALOGS OF GRAPHITE

被引：902

作者：

TAKEDA, K

SHIRAISHI, K

机构：

[1] NTT Basic Research Laboratories, Atsugi

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 20期

关键词：

D O I：

10.1103/PhysRevB.50.14916

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The planarity of the aromatic stage of two-dimensional Si and Ge layers are theoretically investigated by first-principles total-energy calculations. While a C atom prefers to form the flat aromatic stage, i.e., graphite, Si and Ge prefer to form the corrugated aromatic stage. Si can be said to be the critical element by which the corrugated stage is formed. © 1994 The American Physical Society.

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页码：14916 / 14922

页数：7

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共 30 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228

[2] CHEMICAL-BOND AND ELECTRONIC STATES IN CALCIUM SILICIDES - THEORY AND COMPARISON WITH SYNCHROTRON-RADIATION PHOTOEMISSION [J].

BISI, O ;

BRAICOVICH, L ;

CARBONE, C ;

LINDAU, I ;

IANDELLI, A ;

OLCESE, GL ;

PALENZONA, A .

PHYSICAL REVIEW B, 1989, 40 (15) :10194-10209

[3] NEW LOW-ENERGY CRYSTAL-STRUCTURE FOR SILICON [J].

BOYER, LL ;

KAXIRAS, E ;

FELDMAN, JL ;

BROUGHTON, JQ ;

MEHL, MJ .

PHYSICAL REVIEW LETTERS, 1991, 67 (06) :715-718

[4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[5] THE SILICON ANALOG OF BENZENE HEXASILABENZENE (SI6H6) [J].

CLABO, DA ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) :1664-1669

[6] TRANSFORMATION OF 3-CONNECTED SILICON NETS IN CASI2 [J].

EVERS, J .

JOURNAL OF SOLID STATE CHEMISTRY, 1979, 28 (03) :369-377

[7] ELECTRONIC AND STRUCTURAL-PROPERTIES OF CASI2 [J].

FAHY, S ;

HAMANN, DR .

PHYSICAL REVIEW B, 1990, 41 (11) :7587-7592

[8] Forces in molecules [J].

Feynman, RP .

PHYSICAL REVIEW, 1939, 56 (04) :340-343

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].

FRANCL, MM ;

PIETRO, WJ ;

HEHRE, WJ ;

BINKLEY, JS ;

GORDON, MS ;

DEFREES, DJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].

GORDON, MS ;

BINKLEY, JS ;

POPLE, JA ;

PIETRO, WJ ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803