1、怎樣由禁帶寬度Eg粗略計(jì)算半導(dǎo)體的導(dǎo)帶位置(ECB,VsNHE)經(jīng)驗(yàn)公式：ECB=X-Ec-Eg/2EVB=ECB+Eg其中，Ec是相對(duì)于標(biāo)準(zhǔn)H電極的一個(gè)常數(shù)，Ec=4.5eV;Eg是半導(dǎo)體的禁帶寬度(以實(shí)際測(cè)量結(jié)果為主)；X是半導(dǎo)體內(nèi)各原子絕對(duì)電負(fù)性的幾何平均值。計(jì)算實(shí)例如下：對(duì)ZnO,Eg=3.2eV,通過后面的附表可查得，X(Zn)=4.45,X(O)=7.54,1+1，d-d所以X=，4.45?7.451=5.79,所以，ECB=5.794.5-3.2/2=-0.31eV,EVB=0.31+3.2=2.89eV;2+3再如對(duì)Fe2O3,Eg=2.2eV,X=V4.062?7.453=5

2、.88eV,所以，ECB=5.884.5-2.2/2=0.28eV,EVB=0.28+2.2=2.48eV.與文獻(xiàn)給出的數(shù)據(jù)幾乎完全一致，讀者可自行驗(yàn)算其他物質(zhì)。原子絕對(duì)電負(fù)性附表如下：.43,39,5Q8.23.o8Q.3o.90刀.38,88J4.68,929.20.37J.06.72.81,6.25.25.9494,5.87.22.85.7,19,21.OJ。.I6.89,14.66.83.8o.52.69,71.9.6Q,79.5387.88546549517462445767232344414333,3333.3.34,234.3.4.l3.3.3.3.3.3.3.3.3,4.z3.

3、i3.3.l2.z3.，3.3.3.3.3.3.5.2.3.3.J80.9.29,27.3O.54.41.85.75.23力.62.22.30,42.2.34.45.6,72.72.06.3.40.48.45.26J.89.59,34Q19.64Q9S.30,45,4433J3U85497618.418U400294677912906973446770233416.8.2.2.工工3工344444.145.S.ZZZ3.工43.44444344$6zz33.4.4445.5.643.3.4.75.62,4.28.27.07.46.40,55.15.463974.OS62508140856625

4、71523493280236497000010130nolo230*ooooooollolo230Hoolollololll30022583811660.aLL22.*o.0.o.().60.39J.3.26,53.62,42.14.65J9.I5,4936.9734j,54.82j.77,44,87£.64.73.39.09.$.75.s1.18.7.38.849.104.46.34.58,99.J4.64.ol.45.89.2.6789988871o23444242”59811141317575001010246666677ZZ79.6Z9,9.14.5.666Z7Z8.Z8.57.8.9.61S5.67.7Z8.9.9,9.06.78.HUBeBCNOFNaMgAlsipsaKcascTivaMnFCcoNcuznGaGe