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yssyc

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[求助] GaAs材料掺杂问题 求助!!!!!!

GaAs材料中掺硅材料可不可以改变禁带宽度呢???有没有软件可以仿真不同掺杂材料和浓度对材料禁带的影响啊??????????
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condensed

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yssyc: 金币+9, ★★★很有帮助, u r so kind 金币都给你! 2012-05-10 15:16:54
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In metallurgy, Vegard's law is an approximate empirical rule which holds that a linear relation exists, at constant temperature, between the crystal lattice parameter of an alloy and the concentrations of the constituent elements. [1] [2]

For example, consider the semiconductor compound InPxAs1-x. A relation exists between the constituent elements and their associated lattice parameters, \mathit{a}, such that:

\mathit{a}_{InPAs} = \mathit{x}\mathit{a}_{InP} + (1-\mathit{x})\mathit{a}_{InAs}

One can also extend this relation to determine semiconductor band gap energies. Using InPxAs1-x as before one can find an expression that relates the band gap energies, \mathit{E_g}, to the ratio of the constituents and a bowing parameter \mathit{b}:

\mathit{E_g}_{InPAs} = \mathit{x}\mathit{E_g}_{InP}+(1-\mathit{x})\mathit{E_g}_{InAs}-\mathit{bx}(1-\mathit{x})

When variations in lattice parameter are very small across the entire composition range, Vegard's law becomes equivalent to Amagat's law.

References

    ^ L. Vegard. Die Konstitution der Mischkristalle und die Raumfüllung der Atome. Zeitschrift für Physik, 5:17, 1921.
    ^ Harvard.edu A. R. Denton and N. W. Ashcroft. Vegard’s law. Phys. Rev. A, 43:3161–3164, March 1991.
13楼2012-05-10 00:27:20
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didadida321

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感谢参与,应助指数 +1
yssyc: 金币+1 2012-05-08 19:13:39
liliangfang: 金币+1, 谢谢交流 2012-05-09 08:39:54
貌似可以用MS进行模拟,用vasp再进行计算.
2楼2012-05-08 17:11:59
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yssyc

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2楼: Originally posted by didadida321 at 2012-05-08 17:11:59:
貌似可以用MS进行模拟,用vasp再进行计算.

弱弱问下MS全称是。。。没有用过额。。。
3楼2012-05-08 18:44:02
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4楼2012-05-08 19:09:02
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