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Title: Experimental observations of large changes in electron density distributions in β - Ge

Abstract

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.

Authors:
 [1];  [2];  [3]; ORCiD logo [3];  [3]; ORCiD logo [3]
  1. Chinese Academy of Sciences (CAS), Beijing (China); Carnegie Inst. for Science, Washington, DC (United States)
  2. Chinese Academy of Sciences (CAS), Beijing (China)
  3. Argonne National Lab. (ANL), Argonne, IL (United States). HPCAT
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
National Natural Science Foundation of China (NNSFC); China Scholarship Council (CSC); Chinese Academy of Sciences (CAS); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1607449
Grant/Contract Number:  
AC02-06CH11357; 11634004; FG02-99ER45775; KJCX2-SWN20; KJCX2-SW-N03
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats

Li, Rui, Liu, Jing, Popov, Dmitry, Park, Changyong, Meng, Yue, and Shen, Guoyin. Experimental observations of large changes in electron density distributions in β-Ge. United States: N. p., 2019. Web. https://doi.org/10.1103/PhysRevB.100.224106.
Li, Rui, Liu, Jing, Popov, Dmitry, Park, Changyong, Meng, Yue, & Shen, Guoyin. Experimental observations of large changes in electron density distributions in β-Ge. United States. https://doi.org/10.1103/PhysRevB.100.224106
Li, Rui, Liu, Jing, Popov, Dmitry, Park, Changyong, Meng, Yue, and Shen, Guoyin. Thu . "Experimental observations of large changes in electron density distributions in β-Ge". United States. https://doi.org/10.1103/PhysRevB.100.224106. https://www.osti.gov/servlets/purl/1607449.
@article{osti_1607449,
title = {Experimental observations of large changes in electron density distributions in β-Ge},
author = {Li, Rui and Liu, Jing and Popov, Dmitry and Park, Changyong and Meng, Yue and Shen, Guoyin},
abstractNote = {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.},
doi = {10.1103/PhysRevB.100.224106},
journal = {Physical Review B},
number = 22,
volume = 100,
place = {United States},
year = {2019},
month = {12}
}

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