Proposed synthesis path for heterodiamond BC2N

被引:118
作者
Tateyama, Y [1 ]
Ogitsu, T [1 ]
Kusakabe, K [1 ]
Tsuneyuki, S [1 ]
Itoh, S [1 ]
机构
[1] TOSHIBA CO LTD,ADV RES LAB,SAIWAI KU,KAWASAKI,KANAGAWA 210,JAPAN
来源
PHYSICAL REVIEW B | 1997年 / 55卷 / 16期
关键词
D O I
10.1103/PhysRevB.55.R10161
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A probable heterodiamond BC2N structure that can be obtained from compression of graphitic BC2N at low temperature is proposed using first-principles calculations. The structure consists of a rhombohedral atomic arrangement and has a large bulk modulus comparable to that of diamond as well as a wide band gap. We also found that the structure can be synthesized from a superlattice with alternate stacking of graphite and hexagonal BN monolayers. Transformations from such layered superlattices open a possibility for control of the properties in synthesized materials.
引用
收藏
页码:10161 / 10164
页数:4
相关论文
共 22 条
[1]   CUBIC BORON-NITRIDE - DIAMOND MIXED-CRYSTALS [J].
BADZIAN, AR .
MATERIALS RESEARCH BULLETIN, 1981, 16 (11) :1385-1393
[2]   FIRST-PRINCIPLE CONSTANT-PRESSURE MOLECULAR-DYNAMICS [J].
BERNASCONI, M ;
CHIAROTTI, GL ;
FOCHER, P ;
SCANDOLO, S ;
TOSATTI, E ;
PARRINELLO, M .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1995, 56 (3-4) :501-505
[3]   AB-INITIO CALCULATION OF THE STRUCTURAL AND ELECTRONIC-PROPERTIES OF CARBON AND BORON-NITRIDE USING ULTRASOFT PSEUDOPOTENTIALS [J].
FURTHMULLER, J ;
HAFNER, J ;
KRESSE, G .
PHYSICAL REVIEW B, 1994, 50 (21) :15606-15622
[4]  
KAKUDATE Y, 1994, T MRS JAP, V14, P1447
[5]   HIGH-PRESSURE SYNTHESIS, CHARACTERIZATION, AND EQUATION OF STATE OF CUBIC C-BN SOLID-SOLUTIONS [J].
KNITTLE, E ;
KANER, RB ;
JEANLOZ, R ;
COHEN, ML .
PHYSICAL REVIEW B, 1995, 51 (18) :12149-12156
[6]  
Kouvetakis J., 1989, SYNTHETIC MET, V34, P1
[7]   ELECTRONIC-STRUCTURE OF (DIAMOND-C) (SPHALERITE BN) (110) INTERFACES AND SUPERLATTICES [J].
LAMBRECHT, WRL ;
SEGALL, B .
PHYSICAL REVIEW B, 1989, 40 (14) :9909-9919
[8]   ATOMIC ARRANGEMENT AND ELECTRONIC-STRUCTURE OF BC2N [J].
LIU, AY ;
WENTZCOVITCH, RM ;
COHEN, ML .
PHYSICAL REVIEW B, 1989, 39 (03) :1760-1765
[9]   AB-INITIO CALCULATION OF PHONON-SPECTRA FOR GRAPHITE, BN, AND BC2N SHEETS [J].
MIYAMOTO, Y ;
COHEN, ML ;
LOUIE, SG .
PHYSICAL REVIEW B, 1995, 52 (20) :14971-14975
[10]   The compressibility of media under extreme pressures [J].
Murnaghan, FD .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1944, 30 :244-247