Experimental observations of large changes in electron density distributions in
We report the electron density distributions in β-Ge have been experimentally determined at in situ high-pressure conditions using synchrotron diffraction techniques in a diamond anvil cell. Upon decompression, the electron density along the $$c$$ axis in tetragonal β-Ge displays a sudden drop at 10–11 GPa close to that of the structural α-β transition, while the β-Ge samples remain as single crystals until transforming to metastable Ge phases around 6.7–8.5 GPa. In contrast to the covalently bonded α-Ge that displays only a weak participation of $$d$$ electrons in the valence band under compression above 7.7 GPa, our experimental results suggest that a large change in $$d$$-orbital participation can occur in the β-Ge lattice which has mixed covalent and metallic bonding. The β-Ge below 10 GPa may display large fluctuations in electronic properties, which sheds light for exploring novel materials with intriguing electronic and optical properties.
- Research Organization:
- Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- China Scholarship Council (CSC); Chinese Academy of Sciences (CAS); National Natural Science Foundation of China (NSFC); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Grant/Contract Number:
- AC02-06CH11357; FG02-99ER45775
- OSTI ID:
- 1607449
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 22 Vol. 100; ISSN 2469-9950; ISSN PRBMDO
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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