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Items: 1 to 20 of 100

1.

The refractive index and electronic gap of water and ice increase with increasing pressure.

Pan D, Wan Q, Galli G.

Nat Commun. 2014 May 27;5:3919. doi: 10.1038/ncomms4919.

2.

Optical study of H2O ice to 120 GPa: dielectric function, molecular polarizability, and equation of state.

Zha CS, Hemley RJ, Gramsch SA, Mao HK, Bassett WA.

J Chem Phys. 2007 Feb 21;126(7):074506.

PMID:
17328619
3.

Atomic and electronic structures evolution of the narrow band gap semiconductor Ag2Se under high pressure.

Naumov P, Barkalov O, Mirhosseini H, Felser C, Medvedev SA.

J Phys Condens Matter. 2016 Sep 28;28(38):385801. doi: 10.1088/0953-8984/28/38/385801. Epub 2016 Jul 20.

PMID:
27439023
4.

Electronic topological and structural transitions in AuGa(2) under pressure.

Garg AB, Verma AK, Vijayakumar V, Rao RS, Godwal BK.

J Phys Condens Matter. 2006 Sep 20;18(37):8523-32. doi: 10.1088/0953-8984/18/37/010. Epub 2006 Sep 1.

PMID:
21690905
5.

Proton disorder in cubic ice: Effect on the electronic and optical properties.

Garbuio V, Cascella M, Kupchak I, Pulci O, Seitsonen AP.

J Chem Phys. 2015 Aug 28;143(8):084507. doi: 10.1063/1.4929468.

6.

First-principle electronic, elastic, and optical study of cubic gallium nitride.

Usman Z, Cao C, Nabi G, Kun DY, Khan WS, Mehmood T, Hussain S.

J Phys Chem A. 2011 Jun 23;115(24):6622-8. doi: 10.1021/jp201495e. Epub 2011 May 23.

PMID:
21604728
7.

The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations.

Fang C, Li WF, Koster RS, Klimeš J, van Blaaderen A, van Huis MA.

Phys Chem Chem Phys. 2015 Jan 7;17(1):365-75. doi: 10.1039/c4cp04202f.

PMID:
25388568
8.

Ab initio and molecular dynamics studies of crystalline TNAD (trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadecalin).

Qiu L, Xiao HM, Zhu WH, Xiao JJ, Zhu W.

J Phys Chem B. 2006 Jun 8;110(22):10651-61.

PMID:
16771311
9.

Water under inner pressure: a dielectric spectroscopy study.

Angulo-Sherman A, Mercado-Uribe H.

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Feb;89(2):022406. Epub 2014 Feb 13.

PMID:
25353481
10.

Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization.

Salim MA, Willow SY, Hirata S.

J Chem Phys. 2016 May 28;144(20):204503. doi: 10.1063/1.4951687.

PMID:
27250312
11.

Ab initio Electronic Structure of Liquid Water.

Chen W, Ambrosio F, Miceli G, Pasquarello A.

Phys Rev Lett. 2016 Oct 28;117(18):186401. Epub 2016 Oct 24.

PMID:
27835004
12.

Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice.

Kang D, Dai J, Sun H, Hou Y, Yuan J.

Sci Rep. 2013 Nov 20;3:3272. doi: 10.1038/srep03272.

13.

Electronic and elastic properties of CaF(2) under high pressure from ab initio calculations.

Shi H, Luo W, Johansson B, Ahujia R.

J Phys Condens Matter. 2009 Oct 14;21(41):415501. doi: 10.1088/0953-8984/21/41/415501. Epub 2009 Sep 23.

PMID:
21693988
14.

Creating new layered structures at high pressures: SiS2.

Plašienka D, Martoňák R, Tosatti E.

Sci Rep. 2016 Nov 25;6:37694. doi: 10.1038/srep37694.

15.

Equation of state, refractive index and polarizability of compressed water to 7 GPa and 673 K.

Sanchez-Valle C, Mantegazzi D, Bass JD, Reusser E.

J Chem Phys. 2013 Feb 7;138(5):054505. doi: 10.1063/1.4789359.

PMID:
23406131
16.

Thermal, electronic and ductile properties of lead-chalcogenides under pressure.

Gupta DC, Bhat IH.

J Mol Model. 2013 Sep;19(9):3481-9. doi: 10.1007/s00894-013-1870-4. Epub 2013 May 25.

PMID:
23708612
17.

Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth.

Pan D, Spanu L, Harrison B, Sverjensky DA, Galli G.

Proc Natl Acad Sci U S A. 2013 Apr 23;110(17):6646-50. doi: 10.1073/pnas.1221581110. Epub 2013 Mar 19.

18.

Electronic structures and hydrogen bond network of high-density and very high-density amorphous ices.

He C, Lian JS, Jiang Q.

J Phys Chem B. 2005 Oct 27;109(42):19893-6.

PMID:
16853572
19.

Influences of oxygen pressure on optical properties and interband electronic transitions in multiferroic bismuth ferrite nanocrystalline films grown by pulsed laser deposition.

Jiang K, Zhu JJ, Wu JD, Sun J, Hu ZG, Chu JH.

ACS Appl Mater Interfaces. 2011 Dec;3(12):4844-52. doi: 10.1021/am201340d. Epub 2011 Dec 7.

PMID:
22103473
20.

Pseudopotential calculations of AlSb under pressure.

Algarni H, Al-Hagan OA, Bouarissa N, Khan MA, Alhuwaymel TF.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 14;190:215-219. doi: 10.1016/j.saa.2017.09.029. [Epub ahead of print]

PMID:
28934699

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