Phase stability and transition of BaSi2-type disilicides and digermanides

Wang, Jian -Tao; Chen, Changfeng; Kawazoe, Yoshiyuki

doi:10.1103/PhysRevB.91.054107

Title: Phase stability and transition of ${BaSi}_{2}$ -type disilicides and digermanides

Full Record
Other Related Research

Abstract

Theoretically determined phase stability and transition of BaSi₂-type disilicides and digermanides and compared with experimental results.

Authors:

Wang, Jian -Tao ^[1]; Chen, Changfeng ^[2]; Kawazoe, Yoshiyuki ^[3]

Univ. of Nevada, Las Vegas, NV (United States); Chinese Academy of Sciences (CAS), Beijing (China)
Univ. of Nevada, Las Vegas, NV (United States)
Tohoku Univ., Sendai (Japan); Siberian Branch of Russian Academy of Sciences, Novosibirsk (Russia)

Publication Date:: Tue Feb 17 00:00:00 EST 2015

Research Org.:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1332440

Alternate Identifier(s):: OSTI ID: 1180566

Grant/Contract Number:: NA0001982

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 91; Journal Issue: 5; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Wang, Jian -Tao, Chen, Changfeng, and Kawazoe, Yoshiyuki. Phase stability and transition of BaSi2-type disilicides and digermanides.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.91.054107.

Copy to clipboard


                    Wang, Jian -Tao, Chen, Changfeng, & Kawazoe, Yoshiyuki. Phase stability and transition of BaSi2-type disilicides and digermanides.  United States.  https://doi.org/10.1103/PhysRevB.91.054107

Copy to clipboard


                    Wang, Jian -Tao, Chen, Changfeng, and Kawazoe, Yoshiyuki. Tue .  
"Phase stability and transition of BaSi2-type disilicides and digermanides".  United States.  https://doi.org/10.1103/PhysRevB.91.054107.  https://www.osti.gov/servlets/purl/1332440.

Copy to clipboard


                    
@article{osti_1332440,

  title        = {Phase stability and transition of BaSi2-type disilicides and digermanides},

  author       = {Wang, Jian -Tao and Chen, Changfeng and Kawazoe, Yoshiyuki},

  abstractNote = {Theoretically determined phase stability and transition of BaSi2-type disilicides and digermanides and compared with experimental results.},

  doi          = {10.1103/PhysRevB.91.054107},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 5,

  volume       = 91,

  place        = {United States},

  year         = {Tue Feb 17 00:00:00 EST 2015},

  month        = {Tue Feb 17 00:00:00 EST 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1103/PhysRevB.91.054107

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 9 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Mixing $A$ -type and $G$ -type $B$ -site antiferromagnetism in $A M n_{1 - x} F e_{x} O_{3} (A = La, Nd)$

Journal Article Pajerowski, Daniel M. - Physical Review B

Using a classical Heisenberg model with anisotropic nearest-neighbor superexchange and uniaxial anisotropy, I investigate the magnetic order of the transition metals on the B sites in AMn_1-xFe_xO₃(A=La, Nd; x=[0,1]) with Monte Carlo methods. Magnetic parameters are extracted from preexisting experimental data when available and otherwise estimated with calculations. Superexchange energies are compared to density functional theory and anisotropy energies to ligand field theory, and the potential for doping-induced strain affecting these parameters is considered. I find coexistence regions of different types of magnetic order (A-type and G-type antiferromagnetism), regions with distinct magnetic transitions for the two order parameters, noncollinear groundmore »« less
Cited by 3
https://doi.org/10.1103/PhysRevB.98.134431

Full Text Available
Phase stability and large in-plane resistivity anisotropy in the 112-type iron-based superconductor ${Ca}_{1 - x} {La}_{x} {FeAs}_{2}$

Journal Article Kang, Chang-Jong ; Birol, Turan ; Kotliar, Gabriel - Physical Review B

The recently discovered high-T_c superconductor Ca_1-xLa_xFeAs₂ is a unique compound not just because of its low-symmetry crystal structure but also because of its electronic structure, which hosts Dirac-like metallic bands resulting from (spacer) zigzag As chains. We present a comprehensive first-principles theoretical study of the electronic and crystal structures of Ca_1-xLa_xFeAs₂. After discussing the connection between the crystal structure of the 112 family, which Ca_1-xLa_xFeAs₂ is a member of, with the other known structures of Fe pnictide superconductors, we check the thermodynamic phase stability of CaFeAs₂, and similar hyphothetical compounds SrFeAs₂ and BaFeAs₂ which, we find, are slightly higher inmore »« less
Cited by 15
https://doi.org/10.1103/PhysRevB.95.014511

Full Text Available
Spin dynamics and field-induced magnetic phase transition in the honeycomb Kitaev magnet $α {Li}_{2} {IrO}_{3}$

Journal Article Choi, Sungkyun ; Manni, S. ; Singleton, J. ; ... - Physical Review B

The layered honeycomb iridatemore »« less
Cited by 20
https://doi.org/10.1103/PhysRevB.99.054426

Full Text Available
Monazite-type $SrCr O_{4}$ under compression

Journal Article Gleissner, J. ; Errandonea, Daniel ; Segura, A. ; ... - Physical Review B

We report a high-pressure study of monoclinic monazite-type SrCrO₄ up to 26 GPa. Therein we combined x-ray diffraction, Raman, and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO₄ near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO₄-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO₄. We determined the pressure evolution of the band gap for the low- and high-pressure phases as well as themore »« less
Cited by 28
https://doi.org/10.1103/PhysRevB.94.134108

Full Text Available
Evolution of topological defects at two sequential phase transitions of ${Nd}_{2} Sr {Fe}_{2} O_{7}$

Journal Article Huang, Fei-Ting ; Li, Yanbin ; Xue, Fei ; ... - Physical Review Research

How topological defects, unavoidable at symmetry-breaking phase transitions in a wide range of systems, evolve through consecutive phase transitions with different broken symmetries remains unexplored. Nd₂SrFe₂O₇, a bilayer ferrite, exhibits two intriguing structural phase transitions and dense networks of the so-called type II Z₈ structural vortices at room temperature, so it is an ideal system to explore the topological defect evolution. From our extensive experimental investigation, we demonstrate that the cooling rate at the second-order transition (1290 °C) plays a decisive role in determining the vortex density at room temperature, following the universal Kibble-Zurek mechanism. In addition, we discovered amore »« less
https://doi.org/10.1103/PhysRevResearch.3.023216

Similar Records

Title: Phase stability and transition of BaSi 2 -type disilicides and digermanides

Abstract

Citation Formats

Title: Phase stability and transition of ${BaSi}_{2}$ -type disilicides and digermanides