| 晶格失配对C/BN异质结价带偏移的影响; EFFecFs of Lattice Mismatch on Valence-Band ofFsets △E_v in Heterojunction C/BN | |
| 郑永梅 | |
| 1996 | |
| 英文摘要 | 本文采用lOWdIn微扰原理改进计算效率的局域密度泛函（ldf）线性MuffIn-TIn轨道原子球近似（lMTO-ASA）能带从头计算方法，以平均键能EM作参考能级，计算了以闪锌矿结构氯化硼为衬底外延生长金刚石（C/bn）、以C0.5（bn）0.5合金为衬底外延生长金刚石与闪锌矿结构氯化硼（CIbn）、以金刚石为衬底外延生长闪锌矿结构氯化硼（C＼bn）和金刚石与氮化硼以平均晶格常数匹配生长（C-bn）等四种不同情况下，宽禁带半导体异质结C/bn的价带偏移△EV值，结果分别为1.505、1.494、1.385和1.420EV，得到金刚石（C）和闪锌矿结构氯化硼（bn）之间，晶格失配对C/bn异质结价带偏移△EV值的定量影响为4~6%，但不改变其独特的Ⅱ型能带排列.; Abstract Diamond (C) and boron nitride (BN) in the zinc-blend structure both are wide gap semiconductors.In this paper, an ah-initio LMTO-ASA method improved by Lowdin principle is used to calculate the valence-band ofFsets △Ev in heterojunction C/BN.The calculations are perFormed under Four conditions,i.e., C and BN are matchably grown in average lattice constant (denoted by C-BN), C is strained to match the lattice constant ofbulk BN, which is the case that a thin layer of C is epitaxially deposited on BN (denoted by C/BN), C.BN are strained to match the lattice constant of C,.5 (BN),., alloy, which is the case that the thin layers of C and BN are epitaxially deposited on C0.5 (BN)0.5 (denoted by C I BN) and BN is strained to match the lattice constant of bulk C, which is the case that a thin layer of BN is epitaxially deposited on C (denoted by C\BN).The calculated results are 1.420, 1.505, 1.494, and 1.358eV, respectively.The eFFects of mismatch on △Ev are about 4￣ 6%,but the unusal type-Ⅱ band arrangement in heterojunction C/BN is not changed.; 国家和福建省自然科学基金 |
| 语种 | zh_CN |
| 内容类型 | 期刊论文 |
| 源URL | [http://dspace.xmu.edu.cn/handle/2288/121486]  |
| 专题 | 物理技术－已发表论文 |
| 推荐引用方式 GB/T 7714 | 郑永梅. 晶格失配对C/BN异质结价带偏移的影响, EFFecFs of Lattice Mismatch on Valence-Band ofFsets △E_v in Heterojunction C/BN[J],1996. |
| APA | 郑永梅.(1996).晶格失配对C/BN异质结价带偏移的影响.. |
| MLA | 郑永梅."晶格失配对C/BN异质结价带偏移的影响".(1996). |
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