本文選題：鍺化鎂　切入點(diǎn)：金屬化相變　出處：《物理學(xué)報(bào)》2017年16期 　論文類型：期刊論文

【摘要】：鍺化鎂是一種窄帶半導(dǎo)體,壓力作用可以使鍺化鎂導(dǎo)帶底與價(jià)帶頂?shù)哪芟蹲冃?本文基于第一性原理計(jì)算了鍺化鎂在高壓下的能帶結(jié)構(gòu)以及反螢石相(常壓穩(wěn)定相)和反氯鉛礦相(高壓相)的焓值,發(fā)現(xiàn)在7.5 GPa時(shí)反螢石結(jié)構(gòu)鍺化鎂導(dǎo)帶底與價(jià)帶頂?shù)哪芟堕]合,預(yù)示著半導(dǎo)體相轉(zhuǎn)變?yōu)榻饘傧?計(jì)算結(jié)果還預(yù)測在11.0 GPa時(shí)鍺化鎂發(fā)生從反螢石結(jié)構(gòu)到反氯鉛礦結(jié)構(gòu)的相變.實(shí)驗(yàn)研究方面,本文采用長條形壓砧在連續(xù)加壓條件下測量了鍺化鎂高壓下的電阻變化,采用金剛石對(duì)頂壓砧測量了鍺化鎂的高壓原位拉曼光譜,發(fā)現(xiàn)在8.7 GPa鍺化鎂的電阻出現(xiàn)不連續(xù)變化,9.8 GPa以上鍺化鎂的拉曼振動(dòng)峰消失.由于金屬相的自由電子濃度高會(huì)阻礙激發(fā)光進(jìn)入樣品,進(jìn)而引起拉曼振動(dòng)峰消失,因此我們推測鍺化鎂在9.8 GPa轉(zhuǎn)變?yōu)榻饘傧?
[Abstract]:Magnesium germanate is a narrow band semiconductor, The energy gap between the bottom of the conduction band and the top of the valence band can be reduced by pressure. Based on the first principle, the energy band structure of magnesium germanide at high pressure and the enthalpy values of antifluorite phase (stable phase at atmospheric pressure) and antichlorite phase (high pressure phase) have been calculated. It is found that the energy gap between the bottom of the conduction band and the top of the valence band is closed at 7.5 GPa, indicating the transition of the semiconductor phase to the metallic phase. The calculated results also predict the phase transition of magnesium germanate from antifluorite structure to antichlorite structure at 11.0 GPa. In terms of experimental study, the resistance changes of magnesium germanium germanide at high pressure have been measured under continuous pressure by means of long strip anvil. High pressure in situ Raman spectra of magnesium germanate were measured by diamond anvil. It is found that the Raman vibrational peak of magnesium germanium germanide disappears over 9.8 GPa due to the discontinuous change of resistance at 8.7 GPa. The high concentration of free electron in the metal phase will prevent the excited light from entering the sample, which will lead to the disappearance of the Raman vibration peak. Therefore, we speculate that magnesium germanate will be transformed into metallic phase at 9. 8 GPa.
【作者單位】： 西南交通大學(xué)物理科學(xué)與技術(shù)學(xué)院材料先進(jìn)技術(shù)教育部重點(diǎn)實(shí)驗(yàn)室;西北工業(yè)大學(xué)材料學(xué)院;
【基金】：國家自然科學(xué)基金(批準(zhǔn)號(hào):11004163) 中央高�；究蒲袠I(yè)務(wù)費(fèi)專項(xiàng)資金(批準(zhǔn)號(hào):2682014ZT31,2682016CX065)資助的課題~~
【分類號(hào)】：O521.23

【相似文獻(xiàn)】

相關(guān)期刊論文 前4條

1 鮑忠興;幾種半導(dǎo)體在高壓下的金屬化相變[J];高壓物理學(xué)報(bào);1996年01期

2 劉鮑;彭剛;吳寶嘉;;高壓下WSe_2的電學(xué)性質(zhì)及金屬化相變[J];吉林大學(xué)學(xué)報(bào)(理學(xué)版);2011年05期

3 鮑忠興,何宇亮,王衛(wèi)鄉(xiāng),柳翠霞,陳偉;納米晶Si在高壓下的電學(xué)性質(zhì)與金屬化相變[J];高壓物理學(xué)報(bào);1999年02期

4 劉浩;陳偉民;章鵬;劉立;舒岳階;吳俊;;金屬化粘接層對(duì)FBG應(yīng)變傳感性能的影響[J];光電子.激光;2013年04期

相關(guān)碩士學(xué)位論文 前3條

1 楊皎;高溫高壓下氫（氘）物態(tài)方程與金屬化相變的第一性原理研究[D];西南大學(xué);2015年

2 劉亞先;高壓下多環(huán)芳香烴半導(dǎo)體相變的理論和實(shí)驗(yàn)研究[D];華南理工大學(xué);2016年

3 李燕;高壓下InSe的電學(xué)性質(zhì)和金屬化相變研究[D];吉林大學(xué);2012年

，

本文編號(hào)：1573838