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首页> 外文期刊>Phase Transitions, A Multinational Journal >High pressure behavior and structural properties of transition metal carbides
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High pressure behavior and structural properties of transition metal carbides

机译：过渡金属碳化物的高压行为和结构性能

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摘要

A pressure induced structural phase transition from NaCl-type (B1) to CsCl-type (B2) structure has been predicted in transition metal carbides, namely TiC, ZrC, NbC, HfC, and TaC by using an interionic potential theory with modified ionic charge (Zm ), which includes Coulomb screening effect due to d-electron. The phase transition pressure (PT ) relies on large volume discontinuity in pressure-volume relationship, and identifies the structural phase transition from B1 phase to B2 phase. The variation of second-order elastic constants with pressure follows a systematic trend identical to that observed in other compounds of NaCl-type structure. The Born criterion for stability is found to be valid in transition metal carbides.View full textDownload full textKeywordshigh pressure, phase transition, equation of state, elastic properties, transition metal carbidesRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/01411590903211309
机译：在过渡金属碳化物中，即TiC，ZrC， NbC，HfC和TaC通过使用具有改进的离子电荷（Z m ）的离子间电势理论，包括由于d电子引起的库仑屏蔽效应。相变压力（P T ）依赖于压力-体积关系中的大体积不连续性，并确定了从B 1 相到B 2 < / sub>阶段。二阶弹性常数随压力的变化遵循与其他NaCl型结构化合物相同的系统趋势。稳定的Born标准在过渡金属碳化物中是有效的。查看全文下载全文关键字高压，相变，状态方程，弹性特性，过渡金属碳化物相关var addthis_config = { “ citeulike，netvibes，twitter，technorati，美味，linkedin，facebook，stumbleupon，digg，google，更多”，pubid：“ ra-4dff56cd6bb1830b”};添加到候选列表链接永久链接http://dx.doi.org/10.1080/01411590903211309

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