| LDR | | 00000nmm u2200205 4500 |
| 001 | | 000000331478 |
| 005 | | 20241118175230 |
| 008 | | 181129s2018 ||| | | | eng d |
| 020 | |
▼a 9780438384361 |
| 035 | |
▼a (MiAaPQ)AAI10928421 |
| 035 | |
▼a (MiAaPQ)colorado:15686 |
| 040 | |
▼a MiAaPQ
▼c MiAaPQ
▼d 248032 |
| 049 | 1 |
▼f DP |
| 082 | 0 |
▼a 541 |
| 100 | 1 |
▼a Landin, Alyssa Ruth.
▼0 (orcid)0000-0002-2812-3577 |
| 245 | 14 |
▼a The Role of Defects on the Optical, Electronic, and Magnetic Properties of Iron-sulfur Solids. |
| 260 | |
▼a [S.l.] :
▼b University of Colorado at Boulder.,
▼c 2018 |
| 260 | 1 |
▼a Ann Arbor :
▼b ProQuest Dissertations & Theses,
▼c 2018 |
| 300 | |
▼a 113 p. |
| 500 | |
▼a Source: Dissertation Abstracts International, Volume: 80-02(E), Section: B. |
| 500 | |
▼a Adviser: Joel D. Eaves. |
| 502 | 1 |
▼a Thesis (Ph.D.)--University of Colorado at Boulder, 2018. |
| 520 | |
▼a Solids composed of iron and sulfur are earth abundant and nontoxic, and can exhibit interesting and technologically important optical, electronic, and magnetic phenomena. Troilite (hexagonal FeS) is predicted to exhibit large room temperature ma |
| 520 | |
▼a The first part of this thesis looks at the effects of iron vacancies in Fe-S solids using the stoichiometric end-member, troilite, as a reference system. Density functional theory (DFT) calculations show that iron vacancies in troilite shift the |
| 520 | |
▼a The second part of this thesis focuses on sulfur defects in pyrite. DFT calculations predict a narrowing of the band gap of the semiconductor and reveal strong electron-nuclear coupling in the material due to the extreme sensitivity of the energ |
| 590 | |
▼a School code: 0051. |
| 650 | 4 |
▼a Physical chemistry. |
| 650 | 4 |
▼a Condensed matter physics. |
| 690 | |
▼a 0494 |
| 690 | |
▼a 0611 |
| 710 | 20 |
▼a University of Colorado at Boulder.
▼b Chemistry. |
| 773 | 0 |
▼t Dissertation Abstracts International
▼g 80-02B(E). |
| 773 | |
▼t Dissertation Abstract International |
| 790 | |
▼a 0051 |
| 791 | |
▼a Ph.D. |
| 792 | |
▼a 2018 |
| 793 | |
▼a English |
| 856 | 40 |
▼u http://www.riss.kr/pdu/ddodLink.do?id=T15000897
▼n KERIS |
| 980 | |
▼a 201812
▼f 2019 |
| 990 | |
▼a 관리자
▼b 관리자 |