Molecular dynamics of binary metal nitrides and ternary oxynitrides

Okeke OU; Lowther JE

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Molecular dynamics of binary metal nitrides and ternary oxynitrides

机译：二元金属氮化物和三元氮氧化物的分子动力学

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Ternary systems incorporating metals with oxygen and nitrogen are examined using Tersoff potentials. The apparent success of treating some binary nitride systems using the Tersoff potential is used as a way forward to obtain a new parameter set incorporates atomic features into a series of Tersoff potential for binary nitrides and ternary oxynitrides.

机译：使用Tersoff电势检查了将金属与氧和氮结合在一起的三元体系。使用Tersoff电势处理某些二元氮化物系统的明显成功被用作一种获得新参数集的途径，该参数集将原子特征纳入了用于二元氮化物和三元氮氧化物的一系列Tersoff电势中。

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《Physica, B. Condensed Matter》 |2009年第20期|共5页
作者
Okeke OU; Lowther JE;
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正文语种 eng
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关键词
Electronic structure; Bulk modulus; Elastic constants; Tersoff potential;

机译：电子结构;体积模量;弹性常数;Tersoff势;

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1. Molecular dynamics of binary metal nitrides and ternary oxynitrides [J] . Okeke OU, Lowther JE Physica, B. Condensed Matter . 2009,第20期

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Molecular dynamics of binary metal nitrides and ternary oxynitrides

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