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yssyc

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6楼: Originally posted by condensed at 2012-05-09 06:52:17:
GaAs材料中掺硅材料可不可以改变禁带宽度呢???

The band gap must be changed by doping Si in GaAs. The gaps of the two materials are different. If the structure is not changed, the gap for your d ...

谢谢你,那掺杂后的禁带宽度是在硅 和GAAS之间,还是不一定在两者之间,知道变高变低的趋势么?
11楼2012-05-09 18:38:19
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condensed

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11楼: Originally posted by yssyc at 2012-05-09 18:38:19:
谢谢你,那掺杂后的禁带宽度是在硅 和GAAS之间,还是不一定在两者之间,知道变高变低的趋势么?

Vegard's Law,  Maybe .... Maybe ....
12楼2012-05-10 00:22:37
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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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yssyc

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13楼: Originally posted by condensed at 2012-05-10 00:27:20:
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In metallurgy, Vegard's law is an approximate empirical rule which holds that a linear relation exists, at constant temperature ...

那通过将Si和GaAs的禁带宽度带入第二个公式就可以了吧,可是不知道x的值怎么办?
14楼2012-05-10 16:27:51
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pere

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5楼: Originally posted by condensed at 2012-05-09 06:43:28:
Materials Studio
In fact, every code can solve this problem, e.g., PWSCF, VASP, WIEN2K ..

兄弟,你拿 WIEN2K做一个试试,不要误导...

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人生如梦
15楼2012-05-10 16:33:07
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condensed

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15楼: Originally posted by pere at 2012-05-10 16:33:07:
兄弟,你拿 WIEN2K做一个试试,不要误导...

误导 ??
谁在误导 ??
用WIEN2K 做,和别的软件有什么本质区别??你讲讲

» 本帖已获得的红花(最新10朵)

16楼2012-05-11 01:05:54
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condensed

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14楼: Originally posted by yssyc at 2012-05-10 16:27:51:
那通过将Si和GaAs的禁带宽度带入第二个公式就可以了吧,可是不知道x的值怎么办?

这个公式是比较粗糙的, 我估计只是个近似的线性关系,X 是你替换的比例 啊
17楼2012-05-11 06:51:58
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yssyc

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15楼: Originally posted by pere at 2012-05-10 16:33:07:
兄弟,你拿 WIEN2K做一个试试,不要误导...

不急不急,好好说,送朵花谢谢你
18楼2012-05-11 10:17:44
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yssyc

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16楼: Originally posted by condensed at 2012-05-11 01:05:54:
误导 ??
谁在误导 ??
用WIEN2K 做,和别的软件有什么本质区别??你讲讲

慢慢说,有问题讨论么,送朵花先
19楼2012-05-11 10:18:56
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yssyc

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送鲜花一朵
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16楼: Originally posted by condensed at 2012-05-11 01:05:54:
误导 ??
谁在误导 ??
用WIEN2K 做,和别的软件有什么本质区别??你讲讲

20楼2012-05-11 10:26:38
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