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前田庆次

木虫 (著名写手)

[求助] 求教,纯净石墨烯能带曲线上的这几个对称点坐标是多少?实在是算不出来……

如图,假设横坐标总长(Gamma到Gamma)为1,那么K点坐标和M点坐标分别是多少?算了好久也算不对……郁闷
求教,纯净石墨烯能带曲线上的这几个对称点坐标是多少?实在是算不出来……
QQ图片20131122214001.jpg
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木虫 (小有名气)

【答案】应助回帖

★
感谢参与,应助指数 +1
liliangfang: 金币+1, 谢谢交流 2013-11-24 18:35:56
直接把体系放到MS里,找到第一布里渊区,选取相应的高对称点坐标,然后放到vasp里去算
6楼2013-11-24 14:23:24
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jpchou

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?? lattice constant and lattice vector ????ó???
2楼2013-11-23 15:54:52
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前田庆次

木虫 (著名写手)

???????:
2?: Originally posted by jpchou at 2013-11-23 15:54:52
?? lattice constant and lattice vector ????ó???

??????lattice constant = 5.68
lattice vector:
a1= (3/2, ??3/2)
a2= (3/2, -??3/2)
???????f???????????????????????Y??????????????m????
长枪一横花飘零,松风追月伴我行。无双人间世如梦,倾奇万世永留名。
3楼2013-11-23 16:30:55
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jpchou

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http://zh.wikipedia.org/wiki/%E5%80%92%E6%99%B6%E6%A0%BC

????????o???@?W?
???м??c
?m???????S???Y??
????????????S???g
??????????????? GM or GK or KM ?g???x
????????????B?????????g??
???????S ????????
???? b1, b2
a1, a2, a3 ??@???S???~??????
????м??x??o???W?
?K????????
??o x y ??????????????
4楼2013-11-24 06:18:16
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